Crystallography Open Database

Information card for entry 8105119

Preview

Coordinates	8105119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 N2 O3
Calculated formula	C29 H26 N2 O3
Title of publication	The crystal structure of 5-(benzofuran-2-carbonyl)-N-cyclohexyl-5,6-dihydrophenanthridine-6-carboxamide, C29H26N2O3
Authors of publication	Han, Weiwei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	395 - 396
a	9.6533 ± 0.0008 Å
b	11.3185 ± 0.0009 Å
c	11.4469 ± 0.001 Å
α	83.747 ± 0.003°
β	85.81 ± 0.002°
γ	71.445 ± 0.002°
Cell volume	1177.65 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1226
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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