Crystallography Open Database

Information card for entry 7248315

Preview

Coordinates	7248315.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	R-Binol (R,R)-DADPE benzene solvate
Chemical name	(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine benzene solvate
Formula	C50.27 H46.27 N2 O2
Calculated formula	C50.32 H46.32 N2 O2
Title of publication	Using the nature of the achiral solvent to orient chiral resolution
Authors of publication	de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	15
Pages of publication	2056 - 2059
a	23.5398 ± 0.0017 Å
b	23.5398 ± 0.0017 Å
c	15.3506 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8506.1 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	97
Hermann-Mauguin space group symbol	I 4 2 2
Hall space group symbol	I 4 2
Residual factor for all reflections	0.1477
Residual factor for significantly intense reflections	0.1165
Weighted residual factors for significantly intense reflections	0.2486
Weighted residual factors for all reflections included in the refinement	0.2667
Goodness-of-fit parameter for all reflections included in the refinement	1.248
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
291599 (current)	2024-05-05	cif/ Updating files of 7248314, 7248315 Original log message: Adding full bibliography for 7248314--7248315.cif.	7248315.cif
290522	2024-03-19	cif/ Adding structures of 7248314, 7248315 via cif-deposit CGI script.	7248315.cif