Information card for entry 2233240

Structure parameters

• Chemical name: 6-Ethyl-<i>N</i>-methyl-3-nitro-4-nitromethyl-4<i>H</i>-chromen-2-amine
• Formula: C13 H15 N3 O5
• Calculated formula: C13 H15 N3 O5
• Title of publication: 6-Ethyl-<i>N</i>-methyl-3-nitro-4-nitromethyl-4<i>H</i>-chromen-2-amine
• Authors of publication: Muthukumaran, J.; Parthiban, A.; Surya Prakash Rao, H.; Krishna, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o180 - o181
• a: 8.2538 ± 0.001 Å
• b: 9.0431 ± 0.0009 Å
• c: 10.3323 ± 0.0012 Å
• α: 73.484 ± 0.009°
• β: 71.728 ± 0.011°
• γ: 83.234 ± 0.009°
• Cell volume: 701.75 ± 0.15 ų
• 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: 0.1145
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes