Crystallography Open Database

Information card for entry 1542575

Preview

Coordinates	1542575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Br N4
Calculated formula	C21 H15 Br N4
SMILES	Brc1ccc(c2c3c4c(c5c(cccc5)[nH]4)CCn3c(c2C#N)N)cc1
Title of publication	Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.
Authors of publication	Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	1342 - 1345
a	13.3161 ± 0.0018 Å
b	7.7509 ± 0.0011 Å
c	33.992 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3508.4 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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