Crystallography Open Database

Information card for entry 7158013

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Structure parameters

Formula	C21 H20 Cl2 N2
Calculated formula	C21 H20 Cl2 N2
SMILES	Clc1cc2c(c(n(c2cc1)C)C)Cc1c(n(c2c1cc(Cl)cc2)C)C
Title of publication	Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.
Authors of publication	Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	18
Pages of publication	4076 - 4081
a	8.8647 ± 0.0005 Å
b	10.0294 ± 0.0006 Å
c	11.7597 ± 0.0005 Å
α	110.64 ± 0.005°
β	90.771 ± 0.004°
γ	112.601 ± 0.005°
Cell volume	889.76 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0567
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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