Information card for entry 2217463

Structure parameters

• Chemical name: 5,5',7,7'-Tetramethoxy-2,2'-ethano-1,1'-spirobiindane
• Formula: C23 H26 O4
• Calculated formula: C23 H26 O4
• SMILES: O(c1cc2C[C@@H]3CC[C@@H]4C3(c2c(OC)c1)c1c(OC)cc(OC)cc1C4)C.O(c1cc2C[C@H]3CC[C@H]4C3(c2c(OC)c1)c1c(OC)cc(OC)cc1C4)C
• Title of publication: 5,5',7,7'-Tetramethoxy-2,2'-ethano-1,1'-spirobiindane
• Authors of publication: Hu, Wu-Xin; Wei, Jun-Fa; Shi, Xian-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o455 - o455
• a: 12.7089 ± 0.0011 Å
• b: 10.0905 ± 0.0008 Å
• c: 16.1664 ± 0.0013 Å
• α: 90°
• β: 104.306 ± 0.002°
• γ: 90°
• Cell volume: 2008.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes