Crystallography Open Database

Information card for entry 8105610

Preview

Coordinates	8105610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 N O5
Calculated formula	C24 H25 N O5
SMILES	O=C(OCC)C1=CC(=CN(C1c1ccc(OC)cc1)c1ccccc1)C(=O)OCC
Title of publication	Crystal structure of diethyl 2-(4-methoxyphenyl)-1-phenyl-1,2-dihydropyridine-3,5-dicarboxylate, C24H25NO5
Authors of publication	Tan, Hong-Bo; Meng, Jiang-Ping
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	2
Pages of publication	257 - 258
a	9.2625 ± 0.0008 Å
b	10.5974 ± 0.001 Å
c	11.7431 ± 0.0011 Å
α	77.836 ± 0.008°
β	87.564 ± 0.008°
γ	66.951 ± 0.009°
Cell volume	1035.83 ± 0.18 Å³
Cell temperature	107.5 K
Ambient diffraction temperature	107.5 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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