Information card for entry 1556117

Structure parameters

• Formula: C31 H27 N O4 S
• Calculated formula: C31 H27 N O4 S
• Title of publication: Rhodium-catalyzed asymmetric one-pot transesterification and [2 + 2 + 2] cycloaddition leading to enantioenriched 3,3-disubstituted phthalides.
• Authors of publication: Tanaka, Ken; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1307 - 1310
• a: 10.2528 ± 0.0005 Å
• b: 10.7389 ± 0.0005 Å
• c: 47.533 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5233.6 ± 0.4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No