Crystallography Open Database

Information card for entry 2003042

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Structure parameters

Chemical name	4'-tert-butyl-2,4,6-triisopropylbenzophenone
Formula	C26 H36 O
Calculated formula	C26 H36 O
SMILES	O=C(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1ccc(cc1)C(C)(C)C
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	10.033 ± 0.002 Å
b	22.856 ± 0.002 Å
c	11.227 ± 0.001 Å
α	90°
β	113.73 ± 0.01°
γ	90°
Cell volume	2356.8 ± 0.6 Å³
Cell temperature	293 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.075
Goodness-of-fit parameter for significantly intense reflections	1.33
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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