Crystallography Open Database

Information card for entry 2207400

2207399 << 2207400 >> 2207401

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Structure parameters

Chemical name	Dimethyl 2-(4-fluorophenyl)-3-(methylamino)furan-4,5-dicarboxylate
Formula	C15 H14 F N O5
Calculated formula	C15 H14 F N O5
SMILES	Fc1ccc(c2oc(c(c2NC)C(=O)OC)C(=O)OC)cc1
Title of publication	Dimethyl 2-(4-fluorophenyl)-3-(methylamino)furan-4,5-dicarboxylate
Authors of publication	Ma, Cheng; Yang, Ye-Wei
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	11
Pages of publication	o3798 - o3799
a	17.3249 ± 0.0008 Å
b	9.4165 ± 0.0004 Å
c	18.2202 ± 0.001 Å
α	90°
β	104.753 ± 0.0006°
γ	90°
Cell volume	2874.4 ± 0.2 Å³
Cell temperature	295 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.1471
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	Yes

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