Crystallography Open Database

Information card for entry 7158315

Preview

Coordinates	7158315.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(S)-6-(2-benzhydryl-5-chloro-1H-indol-3-yl)-2-chloro-6-phenyl-5,6-dihydroindeno[2,1-b]indole
Formula	C43 H30 Cl4 N2
Calculated formula	C43 H30 Cl4 N2
Title of publication	La(OTf)<sub>3</sub> facilitated self-condensation of 2-indolylmethanol: construction of highly substituted indeno[1,2-<i>b</i>]indoles.
Authors of publication	Tang, Zhicong; Hong, Gang; Hu, Chen; Wang, Qi; Zhong, Yi; Gong, Yu; Yang, Peng; Wang, Limin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	47
Pages of publication	10337 - 10342
a	13.9191 ± 0.0004 Å
b	12.836 ± 0.0004 Å
c	20.3504 ± 0.0006 Å
α	90°
β	106.316 ± 0.001°
γ	90°
Cell volume	3489.49 ± 0.18 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 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	0.0574
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271870 (current)	2022-01-06	cif/ Updating files of 7158315, 7158316 Original log message: Adding full bibliography for 7158315--7158316.cif.	7158315.cif
269280	2021-09-24	cif/ Adding structures of 7158315, 7158316 via cif-deposit CGI script.	7158315.cif