Crystallography Open Database

Information card for entry 2204183

2204182 << 2204183 >> 2204184

Preview

Coordinates	2204183.cif
Original IUCr paper	HTML

Structure parameters

Common name	9-Ethyl-3-methyl-1,6-dinitrocarbazole
Chemical name	9-Ethyl-3-methyl-1,6-dinitro-9H-carbazole
Formula	C15 H13 N3 O4
Calculated formula	C15 H13 N3 O4
Title of publication	9-Ethyl-3-methyl-1,6-dinitrocarbazole
Authors of publication	Asker, Erol; Masnovi, John
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	9
Pages of publication	o1613 - o1615
a	6.7094 ± 0.0004 Å
b	8.8147 ± 0.0006 Å
c	12.2004 ± 0.0009 Å
α	72.908 ± 0.006°
β	87.72 ± 0.006°
γ	88.718 ± 0.006°
Cell volume	689.09 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0786
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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