Information card for entry 7220046

Structure parameters

• Formula: C28 H31 F N2 O9
• Calculated formula: C28 H31 F N2 O9
• Title of publication: Unprecedented formation of spiro[indoline-3,7'-pyrrolo[1,2-a]azepine] via multicomponent reaction of L-proline, isatin and But-2-ynedioate
• Authors of publication: Yang, Fan; Sun, Jing; Gao, Hong; Yan, Chao Guo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.2 ± 0.002 Å
• b: 12.129 ± 0.002 Å
• c: 22.985 ± 0.004 Å
• α: 90°
• β: 92.804 ± 0.006°
• γ: 90°
• Cell volume: 2840.2 ± 0.9 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: 0.113
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No