Crystallography Open Database

Information card for entry 7154134

Preview

Coordinates	7154134.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4ge
Formula	C30 H40 Cl N O
Calculated formula	C30 H40 Cl N O
SMILES	Clc1c(/C=C/CN(C(=O)C2CCCCC2)c2cc(ccc2C(C)(C)C)C(C)(C)C)cccc1
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	9.779 ± 0.003 Å
b	10.66 ± 0.004 Å
c	26.314 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	2743.1 ± 1.6 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0445
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
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.	7154134.cif
131129	2015-02-04	cif/ Updating files of 7154133, 7154134 Original log message: Adding full bibliography for 7154133--7154134.cif.	7154134.cif
124542	2014-10-04	cif/ Adding structures of 7154133, 7154134 via cif-deposit CGI script.	7154134.cif