Information card for entry 7219620

Structure parameters

• Formula: C51 H38 F2 N4 O4
• Calculated formula: C51 H38 F2 N4 O4
• SMILES: [C@]12([C@@H]([C@]([C@@]3([C@H]1C(=O)c1ccccc1)c1cc(ccc1N(C3=O)Cc1ccccc1)F)(c1ccccc1)O)Nc1ccccn1)c1cc(ccc1N(C2=O)Cc1ccccc1)F.[C@@]12([C@H]([C@@]([C@]3([C@@H]1C(=O)c1ccccc1)c1cc(ccc1N(C3=O)Cc1ccccc1)F)(c1ccccc1)O)Nc1ccccn1)c1cc(ccc1N(C2=O)Cc1ccccc1)F
• Title of publication: Base Catalysed Domino and Self-domino Michael-Aldol Reactions: One-pot Synthesis of Dispirocyclopentaneoxindoles Containing Multiple Chiral Stereocenters
• Authors of publication: Koorathota, Suman; Thennarasu, Sathiah
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.97 ± 0.0005 Å
• b: 15.5516 ± 0.0008 Å
• c: 23.1725 ± 0.0011 Å
• α: 90°
• β: 103.186 ± 0.0019°
• γ: 90°
• Cell volume: 4199.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No