Information card for entry 2240985

Structure parameters

• Chemical name: 2-Methylamino-4-(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)-3-nitropyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one
• Formula: C23 H16 N2 O7
• Calculated formula: C23 H16 N2 O7
• SMILES: c1(=O)c2c(c3c(cccc3)o1)OC(=C(C2c1coc2ccc(C)cc2c1=O)N(=O)=O)NC
• Title of publication: Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)-3-nitropyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one with an unknown solvate
• 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: o645 - o646
• a: 8.0828 ± 0.0002 Å
• b: 11.2035 ± 0.0003 Å
• c: 13.4718 ± 0.0003 Å
• α: 68.58 ± 0.001°
• β: 78.877 ± 0.001°
• γ: 76.578 ± 0.001°
• Cell volume: 1096.76 ± 0.05 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: 0.0491
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes