Crystallography Open Database

Information card for entry 2003039

2003038 << 2003039 >> 2003040

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Structure parameters

Chemical name	3'-chloroformyl-2,4,6-triisopropylbenzophenone
Formula	C23 H27 Cl O2
Calculated formula	C23 H27 Cl O2
SMILES	ClC(=O)c1cc(C(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)ccc1
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	10.915 ± 0.002 Å
b	17.606 ± 0.002 Å
c	11.629 ± 0.001 Å
α	90°
β	108.49 ± 0.01°
γ	90°
Cell volume	2119.4 ± 0.5 Å³
Cell temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.073
Goodness-of-fit parameter for significantly intense reflections	1.32
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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