Crystallography Open Database

Information card for entry 2204822

2204821 << 2204822 >> 2204823

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Structure parameters

Chemical name	9-Chloro-10-(dimethoxymethyl)anthracene
Formula	C17 H15 Cl O2
Calculated formula	C17 H15 Cl O2
SMILES	Clc1c2c(c(C(OC)OC)c3c1cccc3)cccc2
Title of publication	9-Chloro-10-(dimethoxymethyl)anthracene
Authors of publication	Wen-Bing Yuan; Lan Yan; Ru-Dong Yang
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	12
Pages of publication	o2447 - o2448
a	10.553 ± 0.012 Å
b	8.948 ± 0.01 Å
c	30.84 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	2912 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1627
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1891
Weighted residual factors for all reflections included in the refinement	0.255
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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