Crystallography Open Database

Information card for entry 7154133

Preview

Coordinates	7154133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Cl N O
Calculated formula	C32 H36 Cl N O
Title of publication	Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.
Authors of publication	Liu, Yilin; Feng, Xiangqing; Du, Haifeng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	1
Pages of publication	125 - 132
a	10.084 ± 0.002 Å
b	10.408 ± 0.002 Å
c	26.571 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2788.7 ± 1 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	0.0562
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
180327 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/41.	7154133.cif
131129	2015-02-04	cif/ Updating files of 7154133, 7154134 Original log message: Adding full bibliography for 7154133--7154134.cif.	7154133.cif
124542	2014-10-04	cif/ Adding structures of 7154133, 7154134 via cif-deposit CGI script.	7154133.cif