Information card for entry 4514150

Structure parameters

• Formula: C38 H35.94 N10 O6
• Calculated formula: C38 H35.935 N10 O6
• Title of publication: One-Pot Synthesis of Densely Substituted Pyrazolo[3,4-b]-4,7-dihydropyridines.
• Authors of publication: Rao, H. Surya Prakash; Adigopula, Lakshmi Narayana; Ramadas, Krishna
• Journal of publication: ACS combinatorial science
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 279 - 285
• a: 11.3633 ± 0.0009 Å
• b: 12.479 ± 0.001 Å
• c: 16.6341 ± 0.0017 Å
• α: 86.351 ± 0.007°
• β: 72.539 ± 0.008°
• γ: 78.203 ± 0.007°
• Cell volume: 2202.5 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.2104
• Residual factor for significantly intense reflections: 0.1598
• Weighted residual factors for significantly intense reflections: 0.4485
• Weighted residual factors for all reflections included in the refinement: 0.4731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.492
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No