2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure
The boron atom in C(22)E(15)BO(5) is O,O'-chelated by the anions in a tetrahedral geometry, with the planar five- and six-membered chelate rings being orthogonal to each other. The molecule lies on a two-fold rotation axis. The molecule is disordered with respect to another molecule in a 93:7 r...
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Chinese Journal Structural Chemistry
2010
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| _version_ | 1796946893551435776 |
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| author | Ng, S.W. |
| author_facet | Ng, S.W. |
| author_sort | Ng, S.W. |
| collection | UM |
| description | The boron atom in C(22)E(15)BO(5) is O,O'-chelated by the anions in a tetrahedral geometry, with the planar five- and six-membered chelate rings being orthogonal to each other. The molecule lies on a two-fold rotation axis. The molecule is disordered with respect to another molecule in a 93:7 ratio; the treatment of the `whole-molecule disorder' by employing a large number of restraints is described. Crystal data: C(22)H(15)BO(5), monoclinic C2/c, a = 17.1804(5), b = 12.9409(4), c = 9.8842(3) angstrom, beta = 124.832(2), V = 1803.82(9) angstrom(3) at -173 K. |
| first_indexed | 2024-03-06T05:38:40Z |
| format | Article |
| id | um.eprints-15362 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:38:40Z |
| publishDate | 2010 |
| publisher | Chinese Journal Structural Chemistry |
| record_format | dspace |
| spelling | um.eprints-153622015-12-28T08:19:10Z http://eprints.um.edu.my/15362/ 2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure Ng, S.W. QC Physics The boron atom in C(22)E(15)BO(5) is O,O'-chelated by the anions in a tetrahedral geometry, with the planar five- and six-membered chelate rings being orthogonal to each other. The molecule lies on a two-fold rotation axis. The molecule is disordered with respect to another molecule in a 93:7 ratio; the treatment of the `whole-molecule disorder' by employing a large number of restraints is described. Crystal data: C(22)H(15)BO(5), monoclinic C2/c, a = 17.1804(5), b = 12.9409(4), c = 9.8842(3) angstrom, beta = 124.832(2), V = 1803.82(9) angstrom(3) at -173 K. Chinese Journal Structural Chemistry 2010 Article PeerReviewed Ng, S.W. (2010) 2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure. Chinese Journal of Structural Chemistry, 29 (11). pp. 1694-1696. |
| spellingShingle | QC Physics Ng, S.W. 2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure |
| title | 2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure |
| title_full | 2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure |
| title_fullStr | 2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure |
| title_full_unstemmed | 2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure |
| title_short | 2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure |
| title_sort | 2 1 3 diphenylpropen 1 3 diolato 1 3 2 5 formylbenzo dioxaborol a whole molecule disorder crystal structure |
| topic | QC Physics |
| work_keys_str_mv | AT ngsw 213diphenylpropen13diolato1325formylbenzodioxaborolawholemoleculedisordercrystalstructure |