Information card for entry 2241007

Structure parameters

• Chemical name: 4-(6-Bromo-4-oxo-4<i>H</i>-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one chloroform monosolvate
• Formula: C23 H14 Br Cl3 N2 O7
• Calculated formula: C23 H14 Br Cl3 N2 O7
• Title of publication: Crystal structure of 4-(6-bromo-4-oxo-4<i>H</i>-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one chloroform monosolvate
• Authors of publication: Raja, Rajamani; Kandhasamy, Subramani; Perumal, Paramasivam T.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o648 - o649
• a: 9.8816 ± 0.0002 Å
• b: 11.9237 ± 0.0003 Å
• c: 12.0616 ± 0.0003 Å
• α: 80.804 ± 0.001°
• β: 68.422 ± 0.001°
• γ: 70.735 ± 0.001°
• Cell volume: 1246.36 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes