Crystallography Open Database

Information card for entry 7052087

7052086 << 7052087 >> 7052088

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Coordinates	7052087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 N3 O
Calculated formula	C21 H25 N3 O
Title of publication	Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution
Authors of publication	Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	3
Pages of publication	429
a	8.5205 ± 0.0002 Å
b	12.6244 ± 0.0003 Å
c	18.1441 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1951.69 ± 0.08 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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