Crystallography Open Database

Information card for entry 4031814

Preview

Coordinates	4031814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 O4 Si2
Calculated formula	C28 H44 O4 Si2
SMILES	[Si](c1ccccc1)([C@H]1[C@@]2([C@H]3[C@@]4([C@@H]([C@@H](OCC[Si](C)(C)C)OC4)C(=C)C[C@@H]3OC2)[C@@H](O)C1)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	7.702 ± 0.0001 Å
b	13.1321 ± 0.0002 Å
c	27.4999 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2781.4 ± 0.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177421 (current)	2016-03-04	cif/ Updating files of 4031812, 4031813, 4031814, 4031815, 4031816 Original log message: Adding full bibliography for 4031812--4031816.cif.	4031814.cif
175039	2016-01-26	cif/ Adding structures of 4031814 via cif-deposit CGI script.	4031814.cif