Information card for entry 1508283

Structure parameters

• Formula: C32 H32 N O5 S
• Calculated formula: C32 H32 N O5 S
• SMILES: S(=O)(=O)(n1c(c2ccccc2)cc2c1[C@@H](O)[C@H]1[C@@](OC)(C)[C@@H]2C[C@H]1c1ccc(OC)cc1)c1ccc(C)cc1.S(=O)(=O)(n1c(c2ccccc2)cc2c1[C@H](O)[C@@H]1[C@](OC)(C)[C@H]2C[C@@H]1c1ccc(OC)cc1)c1ccc(C)cc1
• Title of publication: Divergent construction of nitrogen-containing polycyclic compounds with a dearomatization strategy.
• Authors of publication: Wang, Linfei; Fan, Renhua
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3596 - 3599
• a: 12.735 ± 0.005 Å
• b: 14.681 ± 0.005 Å
• c: 15.443 ± 0.006 Å
• α: 90°
• β: 103.359 ± 0.005°
• γ: 90°
• Cell volume: 2809.1 ± 1.8 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: 0.1024
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No