Crystallography Open Database

Information card for entry 7157744

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Coordinates	7157744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 N2 O2
Calculated formula	C36 H26 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	12.9632 ± 0.0001 Å
b	12.9632 ± 0.0001 Å
c	16.2424 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2363.77 ± 0.04 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	4
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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