Crystallography Open Database

Information card for entry 1555695

Preview

Coordinates	1555695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Cl O3
Calculated formula	C19 H19 Cl O3
SMILES	Clc1ccc(cc1)[C@@H]1C[C@@]1(C(=O)OCC)c1ccc(OC)cc1
Title of publication	Preparation of Optically Active cis-Cyclopropane Carboxylates: Cyclopropanation of α-Silyl Stryenes with Aryldiazoacetates and Desilylation of the Resulting Silyl Cyclopropanes.
Authors of publication	Su, Yan; Li, Qing-Fang; Zhao, Yu-Ming; Gu, Peiming
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	17
Pages of publication	4356 - 4359
a	8.4147 ± 0.0007 Å
b	9.8374 ± 0.001 Å
c	20.9238 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1732 ± 0.3 Å³
Cell temperature	290.53 ± 0.1 K
Ambient diffraction temperature	290.53 ± 0.1 K
Number of distinct elements	4
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	0.0878
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation probe	x-ray
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
239025 (current)	2019-11-24	cif/ Adding structures of 1555695 via cif-deposit CGI script.	1555695.cif