Information card for entry 2207753

Structure parameters

• Chemical name: 1,13-Dimethyl-6H,7H,8H-chromeno[3',4':5,6]pyrano[3,2-c]chromene-6,8-dione
• Formula: C21 H14 O5
• Calculated formula: C21 H14 O5
• SMILES: O=c1oc2cccc(c2c2Oc3c(Cc12)c(=O)oc1cccc(c31)C)C
• Title of publication: 1,13-Dimethyl-6<i>H</i>,7<i>H</i>,8<i>H</i>-chromeno[3',4':5,6]pyrano[3,2-<i>c</i>]chromene-6,8-dione
• Authors of publication: M. Iqbal Choudhary; Alain Meli Lannang; Shazia Anjum; Hoong-Kun Fun; David Lontsi; Jean Gustave Tangmouo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o116 - o118
• a: 8.052 ± 0.006 Å
• b: 8.492 ± 0.007 Å
• c: 12.544 ± 0.01 Å
• α: 91.441 ± 0.013°
• β: 106.324 ± 0.013°
• γ: 109.489 ± 0.013°
• Cell volume: 769.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes