Information card for entry 2236597

Structure parameters

• Chemical name: 1,5,7,8',11-Pentamethoxy-13<i>H</i>-spiro[dibenzo[<i>a</i>,<i>g</i>]fluorene- 13,1'(4'<i>H</i>)-naphthalen]-4'-one toluene monosolvate
• Formula: C42 H36 O6
• Calculated formula: C42 H36 O6
• SMILES: O(c1cc2c(c3c1cccc3OC)C1(c3c2c2c(c(OC)c3)cccc2OC)C=CC(=O)c2cccc(OC)c12)C.c1(ccccc1)C
• Title of publication: 1,5,7,8',11-Pentamethoxy-13<i>H</i>-spiro[dibenzo[<i>a</i>,<i>g</i>]fluorene-13,1'(4'<i>H</i>)-naphthalen]-4'-one toluene monosolvate
• Authors of publication: Takeuchi, Ryo; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2919
• a: 12.4106 ± 0.0006 Å
• b: 12.4974 ± 0.0007 Å
• c: 21.4941 ± 0.0011 Å
• α: 90°
• β: 97.319 ± 0.003°
• γ: 90°
• Cell volume: 3306.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.0731
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes