Information card for entry 2216128

Structure parameters

• Chemical name: 2,3,5',6,6',7-Hexamethoxy-3'H,10H-spiro[anthracene-9,1'-isobenzofuran]- 3',10-dione
• Formula: C27 H24 O9
• Calculated formula: C27 H24 O9
• SMILES: c12cc(c(cc1C(=O)c1cc(c(cc1C12c2cc(c(cc2C(=O)O1)OC)OC)OC)OC)OC)OC
• Title of publication: 2,3,5',6,6',7-Hexamethoxy-3'<i>H</i>,10<i>H</i>-spiro[anthracene-9,1'-isobenzofuran]-3',10-dione
• Authors of publication: Marlon R. Lutz Jr; Matthias Zeller; Daniel P. Becker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4390 - o4391
• a: 13.1371 ± 0.0007 Å
• b: 13.3281 ± 0.0007 Å
• c: 16.6587 ± 0.0009 Å
• α: 90°
• β: 107.043 ± 0.001°
• γ: 90°
• Cell volume: 2788.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes