Crystallography Open Database

Information card for entry 4023947

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Coordinates	4023947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N O6
Calculated formula	C26 H19 N O7
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	9.6333 ± 0.0002 Å
b	10.7971 ± 0.0002 Å
c	12.4742 ± 0.0003 Å
α	91.891 ± 0.001°
β	108.254 ± 0.001°
γ	93.919 ± 0.001°
Cell volume	1227.26 ± 0.05 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1332
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2456
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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