Crystallography Open Database

Information card for entry 7156686

Preview

Coordinates	7156686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 Cl O3
Calculated formula	C19 H21 Cl O3
Title of publication	Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Authors of publication	Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	10
Pages of publication	2670 - 2683
a	8.8657 ± 0.0009 Å
b	10.5557 ± 0.0009 Å
c	18.97 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1775.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1129
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	0.9575
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225045 (current)	2019-11-08	cif/ Updating files of 7156681, 7156682, 7156683, 7156684, 7156685, 7156686 Original log message: Adding full bibliography for 7156681--7156686.cif.	7156686.cif
213573	2019-02-09	cif/ Adding structures of 7156681, 7156682, 7156683, 7156684, 7156685, 7156686 via cif-deposit CGI script.	7156686.cif