Information card for entry 7223990

Structure parameters

• Formula: C25 H17 N5 O
• Calculated formula: C25 H17 N5 O
• SMILES: c1ccc2c(c1)N(C)C(=O)C12C(C(=C(C2=C1CCc1ccccc21)C#N)N)(C#N)C#N
• Title of publication: Organocatalytic Construction of Spirooxindole Naphthoquinones through Michael/hemiketalization using L-Proline derived Bifunctional Thiourea
• Authors of publication: gajulapali, pratap reddy; Kanduru, Lokesh; Manjunatha, Vishwanath D.; Venkitasamy, KESAVAN
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.4484 ± 0.0002 Å
• b: 13.8881 ± 0.0005 Å
• c: 19.3487 ± 0.0007 Å
• α: 90°
• β: 98.318 ± 0.001°
• γ: 90°
• Cell volume: 1980.45 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No