Crystallography Open Database

Information card for entry 2214499

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Structure parameters

Chemical name	Diethyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Formula	C19 H22 Br N O4
Calculated formula	C19 H22 Br N O4
SMILES	Brc1ccc(C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC)cc1
Title of publication	Diethyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Authors of publication	Boulcina, Raouf; Bouacida, Sofiane; Roisnel, Thierry; Debache, Abdelmadjid
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	o3635 - o3636
a	10.0597 ± 0.0005 Å
b	7.4244 ± 0.0004 Å
c	24.3726 ± 0.0013 Å
α	90°
β	98.126 ± 0.002°
γ	90°
Cell volume	1802.05 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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