Crystallography Open Database

Information card for entry 4117940

Preview

Coordinates	4117940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 N O4 S
Calculated formula	C30 H33 N O4 S
Title of publication	Total Syntheses of Anominine and Tubingensin A
Authors of publication	Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8078 - 8081
a	8.9538 ± 0.0007 Å
b	22.0679 ± 0.0017 Å
c	26.333 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5203.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0804
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
178950 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/79.	4117940.cif
75078	2013-03-06	cif/ Adding structures of 4117940 via cif-deposit CGI script.	4117940.cif