Crystallography Open Database

Information card for entry 2003044

2003043 << 2003044 >> 2003045

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Structure parameters

Chemical name	4'-carboxyl-2,4,6-triisopropylbenzophenone
Formula	C23 H28 O3
Calculated formula	C23 H28 O3
SMILES	O=C(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1ccc(cc1)C(=O)O
Title of publication	Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Authors of publication	Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Journal of publication	Acta Crystallographica Section B
Year of publication	1998
Journal volume	54
Journal issue	6
Pages of publication	895 - 906
a	11.71 ± 0.001 Å
b	15.01 ± 0.002 Å
c	6.224 ± 0.001 Å
α	95.55 ± 0.01°
β	97.05 ± 0.01°
γ	77.79 ± 0.01°
Cell volume	1058.3 ± 0.2 Å³
Cell temperature	293 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.064
Goodness-of-fit parameter for significantly intense reflections	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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