Crystallography Open Database

Information card for entry 2226545

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Structure parameters

Chemical name	1,8-Bis(4-chlorobenzoyl)-7-methoxynaphthalen-2-ol ethanol monosolvate
Formula	C27 H22 Cl2 O5
Calculated formula	C27 H22 Cl2 O5
SMILES	COc1ccc2c(c1C(=O)c1ccc(cc1)Cl)c(c(cc2)O)C(=O)c1ccc(cc1)Cl.CCO
Title of publication	1,8-Bis(4-chlorobenzoyl)-7-methoxynaphthalen-2-ol ethanol monosolvate
Authors of publication	Mitsui, Ryosuke; Nagasawa, Atsushi; Noguchi, Keiichi; Okamoto, Akiko; Yonezawa, Noriyuki
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	7
Pages of publication	o1790
a	25.2992 ± 0.0005 Å
b	25.2992 ± 0.0005 Å
c	7.3068 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4676.71 ± 0.18 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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