Crystallography Open Database

Information card for entry 2215565

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Structure parameters

Chemical name	1,8-Bis(4-chlorobenzoyl)-2,7-dimethoxynaphthalene
Formula	C26 H18 Cl2 O4
Calculated formula	C26 H18 Cl2 O4
SMILES	Clc1ccc(C(=O)c2c(OC)ccc3ccc(OC)c(c23)C(=O)c2ccc(Cl)cc2)cc1
Title of publication	1,8-Bis(4-chlorobenzoyl)-2,7-dimethoxynaphthalene
Authors of publication	Nakaema, Kosuke; Okamoto, Akiko; Noguchi, Keiichi; Yonezawa, Noriyuki
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	10
Pages of publication	o4120 - o4120
a	20.375 ± 0.0012 Å
b	13.3513 ± 0.0008 Å
c	7.7876 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2118.5 ± 0.2 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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