Crystallography Open Database

Information card for entry 7157745

Preview

Structure parameters

Formula	C36 H32 N2 O2
Calculated formula	C36 H32 N2 O2
Title of publication	Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.
Authors of publication	Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	47
Pages of publication	9712 - 9725
a	9.3208 ± 0.0003 Å
b	15.9714 ± 0.0005 Å
c	19.0521 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2836.21 ± 0.16 Å³
Cell temperature	133.15 K
Ambient diffraction temperature	133.15 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	0.0537
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7157745.cif
260816	2021-01-07	cif/ Updating files of 7157743, 7157744, 7157745 Original log message: Adding full bibliography for 7157743--7157745.cif.	7157745.cif
259437	2020-12-02	cif/ Adding structures of 7157743, 7157744, 7157745 via cif-deposit CGI script.	7157745.cif