Crystallography Open Database

Information card for entry 2207251

2207250 << 2207251 >> 2207252

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Structure parameters

Chemical name	Dimethyl 3-(methylamino)-2-(4-methylphenyl)furan-4,5-dicarboxylate
Formula	C16 H17 N O5
Calculated formula	C16 H17 N O5
SMILES	o1c(c(NC)c(c1C(=O)OC)C(=O)OC)c1ccc(C)cc1
Title of publication	Dimethyl 3-(methylamino)-2-(4-methylphenyl)furan-4,5-dicarboxylate
Authors of publication	Yunhua Cheng; Cheng Ma
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	11
Pages of publication	o3688 - o3690
a	15.539 ± 0.0002 Å
b	17.8363 ± 0.0003 Å
c	11.6349 ± 0.0003 Å
α	90°
β	108.658 ± 0.0007°
γ	90°
Cell volume	3055.23 ± 0.1 Å³
Cell temperature	295 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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