Crystallography Open Database

Information card for entry 4000132

Preview

Coordinates	4000132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H11 N O2
Calculated formula	C20 H11 N O2
SMILES	O=C1c2ccccc2N2c3c1cccc3C(=O)c1c2cccc1
Journal of publication	Chemistry of Materials
Year of publication	2002
a	9.2322 ± 0.0002 Å
b	13.508 ± 0.0004 Å
c	10.7647 ± 0.0003 Å
α	90°
β	91.337 ± 0.001°
γ	90°
Cell volume	1342.08 ± 0.06 Å³
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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