Crystallography Open Database

Information card for entry 8107073

Preview

Coordinates	8107073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N O4
Calculated formula	C24 H23 N O4
Title of publication	Crystal structure of dimethyl 5-(dibenzylamino)isophthalate, C24H23NO4
Authors of publication	Li, Yaping; Sun, Dajun; Ming, Julia; Su, Guanfang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	989 - 990
a	13.492 ± 0.006 Å
b	9.259 ± 0.004 Å
c	15.993 ± 0.008 Å
α	90°
β	94.009 ± 0.009°
γ	90°
Cell volume	1993 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0744
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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