Information card for entry 1512216

Structure parameters

• Formula: C30 H27 N O4
• Calculated formula: C30 H27 N O4
• SMILES: O=C1N(c2c([C@@]31C(=CC[C@@H](c1ccccc1)[C@@H]3c1ccccc1)C(=O)OCC)cccc2)C(=O)C.O=C1N(c2c([C@]31C(=CC[C@H](c1ccccc1)[C@H]3c1ccccc1)C(=O)OCC)cccc2)C(=O)C
• 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: 9.1775 ± 0.0001 Å
• b: 16.572 ± 0.0003 Å
• c: 33.404 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5080.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No