Crystallography Open Database

Information card for entry 8107158

Preview

Coordinates	8107158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 N O2 P
Calculated formula	C37 H34 N O2 P
SMILES	P(=O)(N[C@]1([C@H]([C@@H](CC(=C1)c1ccccc1)c1ccccc1)CO)c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)(N[C@@]1([C@@H]([C@H](CC(=C1)c1ccccc1)c1ccccc1)CO)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	The crystal structure of N-(2′-hydroxymethyl-5′-phenyl-3′,4′-dihydro-[1,1′:3′,1″-terphenyl]- 1′(2′H)-yl)-P,P-diphenylphosphinic amide, C37H34NO2P
Authors of publication	Jian, Jinzhen; Ye, Jianghai; Luo, Guoyong; Lang, Tianqiong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	579 - 581
a	9.3479 ± 0.0003 Å
b	23.0805 ± 0.0008 Å
c	13.7819 ± 0.0005 Å
α	90°
β	102.462 ± 0.001°
γ	90°
Cell volume	2903.45 ± 0.17 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	299.99 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
283641 (current)	2023-05-10	cif/ Adding structures of 8107158 via cif-deposit CGI script.	8107158.cif