Information card for entry 7219619

Structure parameters

• Chemical name: KSH
• Formula: C49 H34 Cl N O4
• Calculated formula: C49 H34 Cl N O4
• SMILES: C1(=O)c2cccc3cccc(c23)[C@@]21C[C@@](c1ccc(cc1)c1ccccc1)([C@]1(c3cc(ccc3N(C1=O)Cc1ccccc1)Cl)[C@H]2C(=O)c1ccccc1)O.C1(=O)c2cccc3cccc(c23)[C@]21C[C@](c1ccc(cc1)c1ccccc1)([C@@]1(c3cc(ccc3N(C1=O)Cc1ccccc1)Cl)[C@@H]2C(=O)c1ccccc1)O
• 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: 8.89 ± 0.005 Å
• b: 10.257 ± 0.005 Å
• c: 20.323 ± 0.005 Å
• α: 91.701 ± 0.005°
• β: 90.533 ± 0.005°
• γ: 98.252 ± 0.005°
• Cell volume: 1833 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No