Crystallography Open Database

Information card for entry 4109441

Preview

Coordinates	4109441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cl N O6
Calculated formula	C18 H19 Cl N O6
Title of publication	Total Synthesis, Assignment of Absolute Stereochemistry, and Structural Revision of Chlorofusin
Authors of publication	Wen-Jian Qian; Wan-Guo Wei; Yong-Xia Zhang; Zhu-Jun Yao
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	6400 - 6401
a	11.7466 ± 0.001 Å
b	11.9119 ± 0.001 Å
c	14.2135 ± 0.0012 Å
α	95.435 ± 0.002°
β	98.953 ± 0.002°
γ	93.593 ± 0.002°
Cell volume	1949.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1756
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1645
Weighted residual factors for all reflections included in the refinement	0.2122
Goodness-of-fit parameter for all reflections included in the refinement	0.815
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
178840 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/94.	4109441.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109441.cif
58215	2012-05-25	cif/ Adding structures of 4109441 via cif-deposit CGI script.	4109441.cif