Crystallography Open Database

Information card for entry 1544170

Preview

Coordinates	1544170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Cl N O2
Calculated formula	C30 H34 Cl N O2
SMILES	Cl[C@H]([C@]1(c2c(N(C1=O)C)cccc2)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccc1.Cl[C@@H]([C@@]1(c2c(N(C1=O)C)cccc2)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccc1
Title of publication	Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.
Authors of publication	Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	19
Pages of publication	4888 - 4891
a	14.1486 ± 0.0007 Å
b	11.072 ± 0.0006 Å
c	17.2118 ± 0.0009 Å
α	90°
β	92.697 ± 0.005°
γ	90°
Cell volume	2693.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
187979 (current)	2016-11-06	cif/ Updating files of 1544166, 1544167, 1544168, 1544169, 1544170 Original log message: Adding full bibliography for 1544166--1544170.cif.	1544170.cif
186668	2016-09-21	cif/ Adding structures of 1544170 via cif-deposit CGI script.	1544170.cif