Information card for entry 7220045

Structure parameters

• Formula: C32 H32 N2 O9
• Calculated formula: C32 H32 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: 10.0841 ± 0.0017 Å
• b: 11.1503 ± 0.0019 Å
• c: 14.319 ± 0.003 Å
• α: 111.322 ± 0.002°
• β: 104.083 ± 0.002°
• γ: 90.975 ± 0.002°
• Cell volume: 1444.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No