Crystallography Open Database

Information card for entry 8107072

Preview

Coordinates	8107072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 N O4
Calculated formula	C17 H17 N O4
Title of publication	Crystal structure of dimethyl 5-(benzylamino)isophthalate, C17H17NO4
Authors of publication	Sun, Weixuan; Fang, Xuedong; Zang, Hu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	987 - 988
a	24.367 ± 0.003 Å
b	6.2556 ± 0.0006 Å
c	20.854 ± 0.002 Å
α	90°
β	110.016 ± 0.002°
γ	90°
Cell volume	2986.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1146
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8107072.html