Crystal structure of cholesteryl decanoate.
Cholesteryl decanoate (C37H64O2) is monoclinic, space group P2I, with cell dimensions a = 12.931 (6), b = 9.066 (2), c = 30.22 (1) A, beta = 91.14 (4) degrees, and Z = 4. The atomic coordinates from cholesteryl laurate were used in an initial trial structure which was refined by block diagonal least...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Elsevier
1979-08-01
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| Series: | Journal of Lipid Research |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0022227520400288 |
| _version_ | 1819291061600649216 |
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| author | V Pattabhi B M Craven |
| author_facet | V Pattabhi B M Craven |
| author_sort | V Pattabhi |
| collection | DOAJ |
| description | Cholesteryl decanoate (C37H64O2) is monoclinic, space group P2I, with cell dimensions a = 12.931 (6), b = 9.066 (2), c = 30.22 (1) A, beta = 91.14 (4) degrees, and Z = 4. The atomic coordinates from cholesteryl laurate were used in an initial trial structure which was refined by block diagonal least-squares methods with 1846 observed X-ray reflections (R = 0.129). Molecules A and B have almost fully extended conformations, except at the ester bonds and towards the end of the decanoate B chain. The molecules are arranged in antiparallel array forming monolayers of thickness d001 = 30.22 A, with the molecular long axis making an angle of about 67 degrees with the layer interface. The crystal structure is very similar to that of cholesteryl nonanoate and cholesteryl laurate. |
| first_indexed | 2024-12-24T03:32:39Z |
| format | Article |
| id | doaj.art-9e540dffb53c4d96bd79b3abedc7e457 |
| institution | Directory Open Access Journal |
| issn | 0022-2275 |
| language | English |
| last_indexed | 2024-12-24T03:32:39Z |
| publishDate | 1979-08-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Lipid Research |
| spelling | doaj.art-9e540dffb53c4d96bd79b3abedc7e4572022-12-21T17:17:10ZengElsevierJournal of Lipid Research0022-22751979-08-01206753759Crystal structure of cholesteryl decanoate.V PattabhiB M CravenCholesteryl decanoate (C37H64O2) is monoclinic, space group P2I, with cell dimensions a = 12.931 (6), b = 9.066 (2), c = 30.22 (1) A, beta = 91.14 (4) degrees, and Z = 4. The atomic coordinates from cholesteryl laurate were used in an initial trial structure which was refined by block diagonal least-squares methods with 1846 observed X-ray reflections (R = 0.129). Molecules A and B have almost fully extended conformations, except at the ester bonds and towards the end of the decanoate B chain. The molecules are arranged in antiparallel array forming monolayers of thickness d001 = 30.22 A, with the molecular long axis making an angle of about 67 degrees with the layer interface. The crystal structure is very similar to that of cholesteryl nonanoate and cholesteryl laurate.http://www.sciencedirect.com/science/article/pii/S0022227520400288 |
| spellingShingle | V Pattabhi B M Craven Crystal structure of cholesteryl decanoate. Journal of Lipid Research |
| title | Crystal structure of cholesteryl decanoate. |
| title_full | Crystal structure of cholesteryl decanoate. |
| title_fullStr | Crystal structure of cholesteryl decanoate. |
| title_full_unstemmed | Crystal structure of cholesteryl decanoate. |
| title_short | Crystal structure of cholesteryl decanoate. |
| title_sort | crystal structure of cholesteryl decanoate |
| url | http://www.sciencedirect.com/science/article/pii/S0022227520400288 |
| work_keys_str_mv | AT vpattabhi crystalstructureofcholesteryldecanoate AT bmcraven crystalstructureofcholesteryldecanoate |