Crystallography Open Database

Information card for entry 7153804

Preview

Coordinates	7153804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N O
Calculated formula	C24 H19 N O
SMILES	O=C1N(C23C(C1)c1ccccc1C(c1c2cccc1)c1c3cccc1)C
Title of publication	Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.
Authors of publication	King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	20
Pages of publication	3211 - 3221
a	16.9504 ± 0.0014 Å
b	11.2305 ± 0.001 Å
c	9.1731 ± 0.0009 Å
α	90°
β	103.305 ± 0.01°
γ	90°
Cell volume	1699.3 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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