Crystallography Open Database

Information card for entry 8104637

Preview

Coordinates	8104637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 N2 O
Calculated formula	C26 H16 N2 O
SMILES	N1(c2c3ncccc3ccc2)c2c(c3c(C1=O)cccc3)c1c(cc2)cccc1
Title of publication	Crystal structure of 6-(quinolin-8-yl)benzo[a]phenanthridin-5(6H)-one, C26H16N2O
Authors of publication	Li, Chuan-Jun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	969 - 970
a	12.3329 ± 0.0002 Å
b	12.9276 ± 0.0002 Å
c	12.1125 ± 0.0001 Å
α	90°
β	114.047 ± 0.002°
γ	90°
Cell volume	1763.55 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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