Information card for entry 2217863

Structure parameters

• Chemical name: (1<i>R</i>,1'<i>R</i>,3<i>S</i>,3'<i>S</i>)-5,5',10,10'-Tetramethoxy-1,1',3,3'- tetramethyl- 3,3',4,4'-tetrahydro-1<i>H</i>,1'<i>H</i>-8,8'-bi[benzo[<i>g</i>]isochromene]
• Formula: C34 H38 O6
• Calculated formula: C34 H38 O6
• SMILES: COc1c2[C@@H](C)O[C@H](Cc2c(c2c1cc(cc2)c1ccc2c(c1)c(OC)c1c(c2OC)C[C@@H](O[C@@H]1C)C)OC)C
• Title of publication: (1<i>R</i>,1'<i>R</i>,3<i>S</i>,3'<i>S</i>)-5,5',10,10'-Tetramethoxy-1,1',3,3'-tetramethyl-3,3',4,4'-tetrahydro-1<i>H</i>,1'<i>H</i>-8,8'-bi[benzo[<i>g</i>]isochromene]
• Authors of publication: Sejberg, Jimmy J. P.; Sperry, Jonathan; Choi, Ka Wai; Boyd, Peter D. W.; Brimble, Margaret A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o758
• a: 8.8773 ± 0.0002 Å
• b: 13.9298 ± 0.0002 Å
• c: 23.1234 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2859.42 ± 0.09 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes