Crystallography Open Database

Information card for entry 7119881

7119880 << 7119881 >> 7119882

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Structure parameters

Formula	C26 H20 Br N3
Calculated formula	C26 H20 Br N3
SMILES	c1(ccc(cc1)C(c1c2ccccc2n(C)c1)(c1c2ccccc2n(C)c1)C#N)Br
Title of publication	Gold-catalyzed oxidative couplings of two indoles with one aryldiazo cyanide under oxidant-free conditions.
Authors of publication	Singh, RahulKumar Rajmani; Liu, Rai-Shung
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	33
Pages of publication	4593 - 4596
a	9.542 ± 0.005 Å
b	11.051 ± 0.006 Å
c	11.5 ± 0.007 Å
α	105.75 ± 0.02°
β	108.68 ± 0.02°
γ	95.23 ± 0.02°
Cell volume	1084.4 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.2308
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.2086
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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