Crystallography Open Database

Information card for entry 4026841

Preview

Coordinates	4026841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 Cl2 N2 O4
Calculated formula	C23 H24 Cl2 N2 O4
Title of publication	Synthesis of (+)-Ambrisentan via Chiral Ketone-Catalyzed Asymmetric Epoxidation
Authors of publication	Xianyou Peng; Peijun Li; Yian Shi
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	701 - 703
a	6.959 ± 0.0015 Å
b	17.159 ± 0.003 Å
c	19.174 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2289.6 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0817
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
178447 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/68.	4026841.cif
80895	2013-04-11	cif/ Adding structures of 4026841 via cif-deposit CGI script.	4026841.cif