Crystallography Open Database

Information card for entry 2226237

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Structure parameters

Chemical name	4-[Bis(3,4-dimethoxyphenyl)methyl]pyridine ethanol monosolvate
Formula	C24 H29 N O5
Calculated formula	C24 H29 N O5
SMILES	O(C)c1ccc(cc1OC)C(c1ccc(OC)c(OC)c1)c1ccncc1.OCC
Title of publication	4-[Bis(3,4-dimethoxyphenyl)methyl]pyridine ethanol monosolvate
Authors of publication	Jian, Fang-Fang; Ni, Zhi-Peng
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	6
Pages of publication	o1378
a	29.564 ± 0.006 Å
b	8.381 ± 0.0017 Å
c	19.44 ± 0.004 Å
α	90°
β	107.94 ± 0.03°
γ	90°
Cell volume	4582.6 ± 1.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1395
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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