Crystallography Open Database

Information card for entry 4035634

Preview

Coordinates	4035634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N
Calculated formula	C20 H15 N
SMILES	c1c2c(c3c(cccc3)c(c3ccccc3)n2)ccc1C
Title of publication	Preparation of Phenanthridines from o-Cyanobiaryls via Addition of Organic Lithiums to Nitriles and Imino Radical Cyclization with Iodine.
Authors of publication	Kishi, Atsushi; Moriyama, Katsuhiko; Togo, Hideo
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	18
Pages of publication	11080 - 11088
a	9.6849 ± 0.0008 Å
b	14.6284 ± 0.0011 Å
c	20.1462 ± 0.0016 Å
α	90°
β	98.8224 ± 0.0011°
γ	90°
Cell volume	2820.4 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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