Information card for entry 2240881

Structure parameters

• Chemical name: 4-(6-Chloro-4-oxo-4<i>H</i>-chromen-3-yl)-2-methylamino-3-nitro-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromen-5-one chloroform monosolvate
• Formula: C23 H14 Cl4 N2 O7
• Calculated formula: C23 H14 Cl4 N2 O7
• SMILES: c1(=O)c2c(c3c(cccc3)o1)OC(=C(C2c1c(=O)c2cc(ccc2oc1)Cl)N(=O)=O)NC.C(Cl)(Cl)Cl
• Title of publication: Crystal structure of 4-(6-chloro-4-oxo-4<i>H</i>-chromen-3-yl)-2-methylamino-3-nitro-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromen-5-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: 7
• Pages of publication: o512 - o513
• a: 8.3716 ± 0.0002 Å
• b: 11.6435 ± 0.0003 Å
• c: 13.1018 ± 0.0004 Å
• α: 86.455 ± 0.001°
• β: 88.251 ± 0.001°
• γ: 69.841 ± 0.001°
• Cell volume: 1196.51 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes