Information card for entry 1506097

Structure parameters

• Chemical name: 6,6'-Bis-acetoxymethyl-2,3,2',3'-tetrahydro-1H,1'H-[5,5']biindenyl- 4,7,4',7'-tetracarboxylic acid tetraethyl ester
• Formula: C32 H34 O12
• Calculated formula: C32 H34 O12
• SMILES: O(Cc1c(c(c2c(c1C(=O)OC)CCC2)C(=O)OC)c1c(c(c2c(c1C(=O)OC)CCC2)C(=O)OC)COC(=O)C)C(=O)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: 10.5522 ± 0.0006 Å
• b: 13.1153 ± 0.0006 Å
• c: 21.9409 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3036.5 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No