Crystallography Open Database

Information card for entry 1551957

1551956 << 1551957 >> 1551958

Preview

Coordinates	1551957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 N O2
Calculated formula	C30 H29 N O2
SMILES	O=C(Nc1cccc2ccccc12)[C@H]1CCC[C@H]([C@H]1c1ccc(OC)cc1)c1ccccc1.O=C(Nc1cccc2ccccc12)[C@@H]1CCC[C@@H]([C@@H]1c1ccc(OC)cc1)c1ccccc1
Title of publication	Three-Component Vicinal-Diarylation of Alkenes via Directed Transmetalation of Arylboronic Acids
Authors of publication	Zhao, Dongbing; Zhang, Yun; Chen, Gong
Journal of publication	Chemical Science
Year of publication	2019
a	20.542 ± 0.004 Å
b	74.483 ± 0.015 Å
c	5.9207 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	9059 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
216718 (current)	2019-07-04	cif/ Adding structures of 1551956, 1551957 via cif-deposit CGI script.	1551957.cif