Crystallography Open Database

Information card for entry 4031812

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Structure parameters

Formula	C25 H34 O4 Si
Calculated formula	C25 H34 O4 Si
SMILES	[Si](c1ccccc1)([C@@H]1CC(=O)[C@@]23[C@@H]4[C@]1(C)CO[C@H]4CC(=C)[C@@H]2[C@@](OC3)(OC)C)(C)C
Title of publication	Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.
Authors of publication	Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	3
Pages of publication	751 - 771
a	11.2623 ± 0.0002 Å
b	8.9195 ± 0.0001 Å
c	12.9754 ± 0.0009 Å
α	90°
β	114.397 ± 0.008°
γ	90°
Cell volume	1187.04 ± 0.11 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.0602
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4031812.cif
177421	2016-03-04	cif/ Updating files of 4031812, 4031813, 4031814, 4031815, 4031816 Original log message: Adding full bibliography for 4031812--4031816.cif.	4031812.cif
175037	2016-01-26	cif/ Adding structures of 4031812 via cif-deposit CGI script.	4031812.cif