Information card for entry 7220043

Structure parameters

• Formula: C25 H23 Cl N2 O6
• Calculated formula: C25 H23 Cl N2 O6
• 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: 11.947 ± 0.002 Å
• b: 15.249 ± 0.003 Å
• c: 25.716 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4684.9 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No