Information card for entry 2236829

Structure parameters

• Chemical name: 4-(2-Bromophenyl)-2-phenylpyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one
• Formula: C24 H15 Br O3
• Calculated formula: C24 H15 Br O3
• SMILES: Brc1c(C2c3c(OC(=C2)c2ccccc2)c2ccccc2oc3=O)cccc1
• Title of publication: 4-(2-Bromophenyl)-2-phenylpyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one
• Authors of publication: Gohain, Mukut; Loganathan, Nagarajan; Bezuidenhoudt, Barend C. B.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3279 - o3280
• a: 11.5959 ± 0.0002 Å
• b: 17.789 ± 0.0004 Å
• c: 8.761 ± 0.0002 Å
• α: 90°
• β: 97.06 ± 0.001°
• γ: 90°
• Cell volume: 1793.51 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes