Crystallography Open Database

Information card for entry 7150064

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Coordinates	7150064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H24 N4 O
Calculated formula	C21.5 H23.5 N4 O
Title of publication	Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.
Authors of publication	Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín
Journal of publication	Organic & biomolecular chemistry
Year of publication	2005
Journal volume	3
Journal issue	7
Pages of publication	1217 - 1226
a	25.8225 ± 0.0003 Å
b	10.7493 ± 0.0002 Å
c	15.627 ± 0.0003 Å
α	90°
β	117.694 ± 0.001°
γ	90°
Cell volume	3840.74 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.059
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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