Crystallography Open Database

Information card for entry 7052085

7052084 << 7052085 >> 7052086

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Coordinates	7052085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N3 O2
Calculated formula	C18 H19 N3 O2
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	13.6403 ± 0.0002 Å
b	9.6489 ± 0.0002 Å
c	24.3685 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3207.23 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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