Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O

C23H26O12·H2O, orthorhombic, P212121 (no. 19), a = 6.2630(6) Å, b = 17.5649(18) Å, c = 21.929(2) Å, V = 2412.4(4) Å3, Z = 4, Rgt(F) = 0.0381, wRref(F2) = 0.1017, T = 296 K.

Bibliographic Details
Main Authors: Zeng Xue, Feng Yuanjiao, Shi Lei, Zhong Wenwu, Niu Yahui
Format: Article
Language:English
Published: De Gruyter 2024-04-01
Series:Zeitschrift für Kristallographie - New Crystal Structures
Subjects:
Online Access:https://doi.org/10.1515/ncrs-2023-0538
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author Zeng Xue
Feng Yuanjiao
Shi Lei
Zhong Wenwu
Niu Yahui
author_facet Zeng Xue
Feng Yuanjiao
Shi Lei
Zhong Wenwu
Niu Yahui
author_sort Zeng Xue
collection DOAJ
description C23H26O12·H2O, orthorhombic, P212121 (no. 19), a = 6.2630(6) Å, b = 17.5649(18) Å, c = 21.929(2) Å, V = 2412.4(4) Å3, Z = 4, Rgt(F) = 0.0381, wRref(F2) = 0.1017, T = 296 K.
first_indexed 2024-04-25T00:55:54Z
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language English
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publishDate 2024-04-01
publisher De Gruyter
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series Zeitschrift für Kristallographie - New Crystal Structures
spelling doaj.art-3b5bec276cb94bccb2b1810d8dcbec8c2024-03-11T10:04:45ZengDe GruyterZeitschrift für Kristallographie - New Crystal Structures1433-72662197-45782024-04-01239229930110.1515/ncrs-2023-0538Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2OZeng Xue0Feng Yuanjiao1Shi Lei2Zhong Wenwu3Niu Yahui4Chongqing Medical and Pharmaceutical College, Chongqing404100, P.R. ChinaChongqing Medical and Pharmaceutical College, Chongqing404100, P.R. ChinaChongqing Medical and Pharmaceutical College, Chongqing404100, P.R. ChinaChongqing Medical and Pharmaceutical College, Chongqing404100, P.R. ChinaChongqing Medical and Pharmaceutical College, Chongqing404100, P.R. ChinaC23H26O12·H2O, orthorhombic, P212121 (no. 19), a = 6.2630(6) Å, b = 17.5649(18) Å, c = 21.929(2) Å, V = 2412.4(4) Å3, Z = 4, Rgt(F) = 0.0381, wRref(F2) = 0.1017, T = 296 K.https://doi.org/10.1515/ncrs-2023-05382326684
spellingShingle Zeng Xue
Feng Yuanjiao
Shi Lei
Zhong Wenwu
Niu Yahui
Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
Zeitschrift für Kristallographie - New Crystal Structures
2326684
title Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
title_full Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
title_fullStr Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
title_full_unstemmed Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
title_short Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
title_sort crystal structure of 2s 3r 4s 5s 6r 4 5 dihydroxy 6 hydroxymethyl 2 4as 5r 6s 1 oxo 5 vinyl 4 4a 5 6 tetrahydro 1h 3h pyrano 3 4 c pyran 6 yl oxy tetrahydro 2h pyran 3 yl 2 3 dihydroxybenzoate hydrate c23h26o12·h2o
topic 2326684
url https://doi.org/10.1515/ncrs-2023-0538
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AT fengyuanjiao crystalstructureof2s3r4s5s6r45dihydroxy6hydroxymethyl24as5r6s1oxo5vinyl44a56tetrahydro1h3hpyrano34cpyran6yloxytetrahydro2hpyran3yl23dihydroxybenzoatehydratec23h26o12h2o
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AT zhongwenwu crystalstructureof2s3r4s5s6r45dihydroxy6hydroxymethyl24as5r6s1oxo5vinyl44a56tetrahydro1h3hpyrano34cpyran6yloxytetrahydro2hpyran3yl23dihydroxybenzoatehydratec23h26o12h2o
AT niuyahui crystalstructureof2s3r4s5s6r45dihydroxy6hydroxymethyl24as5r6s1oxo5vinyl44a56tetrahydro1h3hpyrano34cpyran6yloxytetrahydro2hpyran3yl23dihydroxybenzoatehydratec23h26o12h2o