Crystallography Open Database

Information card for entry 8105921

Preview

Coordinates	8105921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 N O2
Calculated formula	C14 H11 N O2
Title of publication	The crystal structure of 3-methoxyphenanthridin-6(5H)-one, C14H11NO2
Authors of publication	Wu, Deng-Ze
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	5
Pages of publication	1013 - 1014
a	12.7731 ± 0.0019 Å
b	5.4767 ± 0.0009 Å
c	17.3616 ± 0.0018 Å
α	90°
β	119.747 ± 0.007°
γ	90°
Cell volume	1054.5 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0613
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1863
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8105921.html