Crystallography Open Database

Information card for entry 4127341

Preview

Coordinates	4127341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H54 O5 Si2
Calculated formula	C30 H54 O5 Si2
SMILES	[Si](OC[C@@H]1[C@@](COCc2ccccc2)(C(=O)O)CCC[C@]1(C)CO[Si](C)(C)C(C)(C)C)(C)(C)C(C)(C)C.[Si](OC[C@H]1[C@](COCc2ccccc2)(C(=O)O)CCC[C@@]1(C)CO[Si](C)(C)C(C)(C)C)(C)(C)C(C)(C)C
Title of publication	Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.
Authors of publication	Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	20
Pages of publication	8372 - 8380
a	7.4362 ± 0.0002 Å
b	42.8598 ± 0.0011 Å
c	10.2836 ± 0.0003 Å
α	90°
β	91.457 ± 0.002°
γ	90°
Cell volume	3276.47 ± 0.15 Å³
Cell temperature	180.1 ± 0.3 K
Ambient diffraction temperature	180.1 ± 0.3 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220626 (current)	2019-11-02	cif/ Adding structures of 4127341 via cif-deposit CGI script.	4127341.cif