Crystallography Open Database

Information card for entry 7158316

Preview

Coordinates	7158316.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6-(2-(bis(4-(trifluoromethyl)phenyl)methyl)-1H-indol-3-yl)-9-(trifluoromethyl)-6-(4-(trifluoromethyl)phenyl)-5,6-dihydroindeno[2,1-b]indole
Formula	C46 H26 F12 N2
Calculated formula	C92 H52 F24 N4
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	12.1173 ± 0.0008 Å
b	13.979 ± 0.0009 Å
c	17.7969 ± 0.0007 Å
α	78.96 ± 0.004°
β	80.192 ± 0.005°
γ	68.596 ± 0.006°
Cell volume	2738 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1291
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.3321
Weighted residual factors for all reflections included in the refinement	0.3679
Goodness-of-fit parameter for all reflections included in the refinement	1.289
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7158316.cif
269280	2021-09-24	cif/ Adding structures of 7158315, 7158316 via cif-deposit CGI script.	7158316.cif