Information card for entry 1512215

Structure parameters

• Formula: C26 H25 N O2
• Calculated formula: C26 H25 N O2
• SMILES: O=C1Nc2ccccc2[C@]21[C@H]([C@@H](CC[C@H]2CO)c1ccccc1)c1ccccc1.O=C1Nc2ccccc2[C@@]21[C@@H]([C@H](CC[C@@H]2CO)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations.
• Authors of publication: Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 4002 - 4005
• a: 19.412 ± 0.003 Å
• b: 9.325 ± 0.001 Å
• c: 12.312 ± 0.002 Å
• α: 90°
• β: 105.25 ± 0.05°
• γ: 90°
• Cell volume: 2150.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No