Crystallography Open Database

Information card for entry 7155564

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Structure parameters

Formula	C16 H28 O3 Si
Calculated formula	C16 H28 O3 Si
SMILES	[Si](C#C[C@@H]([C@@H]1COC(=O)[C@H]1[C@H](O)[C@H](C)CC)C)(C)(C)C
Title of publication	Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.
Authors of publication	Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	15
Journal issue	17
Pages of publication	3728 - 3735
a	9.9108 ± 0.0003 Å
b	9.8191 ± 0.0003 Å
c	18.3013 ± 0.0006 Å
α	90°
β	91.679 ± 0.003°
γ	90°
Cell volume	1780.23 ± 0.1 Å³
Cell temperature	104.6 K
Ambient diffraction temperature	104.6 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7155564.cif
196507	2017-05-06	cif/ Updating files of 7155563, 7155564 Original log message: Adding full bibliography for 7155563--7155564.cif.	7155564.cif
195236	2017-04-06	cif/ Adding structures of 7155563, 7155564 via cif-deposit CGI script.	7155564.cif