Crystallography Open Database

Information card for entry 7053689

Preview

Coordinates	7053689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 O3
Calculated formula	C30 H24 O3
SMILES	c1(ccc(cc1)C)C(=O)c1cc(C(=O)c2ccc(cc2)C)cc(C(=O)c2ccc(cc2)C)c1
Title of publication	Interpenetration of distinct 2D and 3D organic networks in the crystal structure of 1,3,5-tris(4-methylbenzoyl)benzene
Authors of publication	Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.
Journal of publication	New Journal of Chemistry
Year of publication	2004
Journal volume	28
Journal issue	10
Pages of publication	1192
a	21.7465 ± 0.001 Å
b	21.7465 ± 0.001 Å
c	16.8412 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	6897.4 ± 0.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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