Information card for entry 1506096

Structure parameters

• Chemical name: 7,7'-Dimethyl-1,3,1',3'-tetrahydro-[4,4']biisobenzofuranyl- 5,6,5',6'-tetracarboxylic acid tetramethyl ester
• Formula: C26 H26 O10
• Calculated formula: C26 H26 O10
• SMILES: O1Cc2c(c(c(c(c2C1)c1c(c(c(c2c1COC2)C)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
• Title of publication: Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.
• Authors of publication: Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 16
• Pages of publication: 3489 - 3492
• a: 13.352 ± 0.0006 Å
• b: 13.352 ± 0.0006 Å
• c: 12.1413 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1874.51 ± 0.16 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No