Crystallography Open Database

Information card for entry 2003050

2003049 << 2003050 >> 2003051

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Coordinates	2003050.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,4-diisopropyl-1-(3'-methoxycarbonylphenyl)-2,2-dimethyl- 1,2-dihydrobenzocyclobuten-1-ol
Formula	C24 H30 O3
Calculated formula	C24 H30 O3
SMILES	OC1(c2c(cc(cc2C1(C)C)C(C)C)C(C)C)c1cc(ccc1)C(=O)OC
Title of publication	Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(<i>S</i>)-phenylalaninocarbonylbenzophenone Methyl Ester
Authors of publication	Hosomi, H.; Ito, Y.; Ohba, S.
Journal of publication	Acta Crystallographica Section B
Year of publication	1998
Journal volume	54
Journal issue	6
Pages of publication	907 - 911
a	11.691 ± 0.002 Å
b	17.51 ± 0.003 Å
c	10.683 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2186.9 ± 0.7 Å³
Cell temperature	293 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P 21 n b
Hall space group symbol	P -2bc 2a
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.047
Goodness-of-fit parameter for significantly intense reflections	1.16
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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