Crystallography Open Database

Information card for entry 8107383

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Coordinates	8107383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N3 O5
Calculated formula	C18 H19 N3 O5
Title of publication	Crystal structure of 2-methoxy-6-[(2-morpholin-4-yl-phenylamino)-methylene]-4-nitro-cyclohexa-2,4-dienone, C18H19N3O5
Authors of publication	Zhang, Shi-Qi; Li, Ming; Zong, Hai-Tao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	165 - 166
a	15.5675 ± 0.0012 Å
b	17.0299 ± 0.0013 Å
c	6.2644 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1660.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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