Information card for entry 1505666

Structure parameters

• Formula: C40 H35 N O6 S2
• Calculated formula: C40 H35 N O6 S2
• SMILES: S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)C[C@H]2C(=CC1)CCC1=C2C[C@@H]2[C@H]([C@H]1c1ccccc1)C(=O)N(C2=O)c1ccccc1)c1ccccc1.S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)C[C@@H]2C(=CC1)CCC1=C2C[C@H]2[C@@H]([C@@H]1c1ccccc1)C(=O)N(C2=O)c1ccccc1)c1ccccc1
• Title of publication: Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.
• Authors of publication: Lu, Ping; Ma, Shengming
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 5319 - 5321
• a: 16.4936 ± 0.0014 Å
• b: 9.15 ± 0.0008 Å
• c: 23.709 ± 0.002 Å
• α: 90°
• β: 109.587 ± 0.002°
• γ: 90°
• Cell volume: 3371 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No