Information card for entry 2107507

Structure parameters

• Chemical name: Methyl 6'-amino,5'-cyano-1-methyl-2-oxo-2'H-spiro [indoline-3,4'-pyrano[2,3-c]pyrazole]-3'-carboxylate
• Formula: C68 H52 N20 O17
• Calculated formula: C68 H54 N20 O17
• Title of publication: One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-<i>c</i>]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors
• Authors of publication: Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 335 - 343
• a: 7.6155 ± 0.0006 Å
• b: 27.2024 ± 0.0012 Å
• c: 16.0187 ± 0.0013 Å
• α: 90°
• β: 98.988 ± 0.008°
• γ: 90°
• Cell volume: 3277.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes