Crystallography Open Database

Information card for entry 2207307

2207306 << 2207307 >> 2207308

Preview

Structure parameters

Chemical name	Dimethyl 3-(benzylamino)-2-(4-fluorophenyl)furan-4,5-dicarboxylate
Formula	C21 H18 F N O5
Calculated formula	C21 H18 F N O5
SMILES	Fc1ccc(c2oc(c(c2NCc2ccccc2)C(=O)OC)C(=O)OC)cc1
Title of publication	Dimethyl 3-(benzylamino)-2-(4-fluorophenyl)furan-4,5-dicarboxylate
Authors of publication	Cheng Ma; Yewei Yang
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	11
Pages of publication	o3548 - o3550
a	19.628 ± 0.0004 Å
b	13.1216 ± 0.0003 Å
c	15.2962 ± 0.0004 Å
α	90°
β	109.641 ± 0.0014°
γ	90°
Cell volume	3710.34 ± 0.15 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	0.0394
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2207307.html