Crystallography Open Database

Information card for entry 7247744

Preview

Coordinates	7247744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Br N
Calculated formula	C24 H16 Br N
SMILES	Brc1c(c2cc(C#Cc3ccccc3)cc(c2nc1)C)c1ccccc1
Title of publication	NBS-mediated bromination and dehydrogenation of tetrahydro-quinoline in one pot: scope and mechanistic study
Authors of publication	Yang, Ruchun; Xiong, Yongge; Deng, Si; Bai, Jiang; Song, Xian-Rong; Xiao, Qiang
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	47
Pages of publication	33495 - 33499
a	11.338 ± 0.0014 Å
b	12.4628 ± 0.0015 Å
c	13.4549 ± 0.0017 Å
α	90°
β	106.655 ± 0.002°
γ	90°
Cell volume	1821.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0567
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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