Information card for entry 4032103

Structure parameters

• Common name: S1480
• Formula: C25 H16 N O3
• Calculated formula: C25 H16 N O3
• SMILES: c12ccccc1[C@@H]([C@H]([C@]12c2ccccc2C(=O)N1)C(=O)OCC)c1ccccc1.c12ccccc1[C@H]([C@@H]([C@@]12c2ccccc2C(=O)N1)C(=O)OCC)c1ccccc1
• Title of publication: Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.
• Authors of publication: Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 3359 - 3367
• a: 10.2941 ± 0.0003 Å
• b: 18.8657 ± 0.0005 Å
• c: 10.2215 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1985.07 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No