Crystallography Open Database

Information card for entry 4117938

Preview

Coordinates	4117938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H39 N O
Calculated formula	C28 H38.66 N O
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	9.3676 ± 0.0008 Å
b	10.5455 ± 0.0009 Å
c	13.8622 ± 0.0011 Å
α	88.235 ± 0.002°
β	72.615 ± 0.002°
γ	63.819 ± 0.002°
Cell volume	1164.57 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4117938.cif
75076	2013-03-06	cif/ Adding structures of 4117938 via cif-deposit CGI script.	4117938.cif