Crystallography Open Database

Information card for entry 1553503

Preview

Coordinates	1553503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 N2
Calculated formula	C23 H24 N2
SMILES	c1ccc(c2c3ccccc3nc3c2CCN3C2CCCCC2)cc1
Title of publication	An isocyanide insertion approach to substituted pyrrolo[2,3-b]quinolines under metal-free and azide-free conditions
Authors of publication	Liu, Cheng-Guo; Gu, Zheng-Yang; Bai, Hui-Wen; Wang, Shun-Yi; Ji, Shun-Jun
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	10
Pages of publication	1299
a	6.202 ± 0.0005 Å
b	10.169 ± 0.001 Å
c	14.7158 ± 0.0018 Å
α	75.057 ± 0.01°
β	85.343 ± 0.008°
γ	84.132 ± 0.007°
Cell volume	890.56 ± 0.16 Å³
Cell temperature	283 ± 10 K
Ambient diffraction temperature	283 ± 10 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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