Crystallography Open Database

Information card for entry 4133801

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Structure parameters

Formula	C44 H58 F2 O7 Si
Calculated formula	C44 H58 F2 O7 Si
Title of publication	Asymmetric Total Synthesis of Pre-schisanartanin C.
Authors of publication	Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	14.4418 ± 0.0001 Å
b	14.4418 ± 0.0001 Å
c	40.013 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8345.33 ± 0.19 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.179
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4133801.cif
245285	2019-12-18	cif/ Adding structures of 4133801 via cif-deposit CGI script.	4133801.cif