Crystallography Open Database

Information card for entry 4023946

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Coordinates	4023946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O4
Calculated formula	C21 H19 N O4
SMILES	O=C(O)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
Title of publication	Synthesis and Oxidation of Triarylamine Derivatives Bearing Hydrogen-Bonding Groups
Authors of publication	Hidenori Murata; Paul M. Lahti
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	4974 - 4977
a	19.788 ± 0.0009 Å
b	9.6912 ± 0.0005 Å
c	21.0268 ± 0.0012 Å
α	90°
β	115.297 ± 0.002°
γ	90°
Cell volume	3645.6 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.1139
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.2243
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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