Crystallography Open Database

Information card for entry 1572056

1572055 << 1572056 >> 1572057

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Coordinates	1572056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 N2
Calculated formula	C42 H38 N2
Title of publication	1,5-Hydrogen atom transfer of α-iminyl radical cations: a new platform for relay annulation for pyridine derivatives and axially chiral heterobiaryls.
Authors of publication	Zhou, Yu-Qiang; He, Kui-Cheng; Zheng, Wei-Hao; Lv, Jing-Fang; He, Shi-Mei; Yu, Ning; Yang, Yun-Bo; Liu, Lv-Yan; Jiang, Kun; Wei, Ye
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	20
Pages of publication	7502 - 7514
a	10.2995 ± 0.0004 Å
b	25.7122 ± 0.0017 Å
c	12.4585 ± 0.0016 Å
α	90°
β	104.672 ± 0.007°
γ	90°
Cell volume	3191.7 ± 0.5 Å³
Cell temperature	290.19 ± 0.1 K
Ambient diffraction temperature	290.19 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292730 (current)	2024-07-04	cif/ Adding structures of 1572056, 1572057 via cif-deposit CGI script.	1572056.cif