Information card for entry 4509632

Structure parameters

• Formula: C26 H29 N4 O14
• Calculated formula: C26 H29 N4 O14
• Title of publication: Construction of Extended Molecular Networks with Heterosynthons in Cocrystals of Pyrazole and Acids
• Authors of publication: Basu, Tannistha; Sparkes, Hazel A.; Mondal, Raju
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5164
• a: 8.9647 ± 0.0002 Å
• b: 9.5264 ± 0.0002 Å
• c: 18.175 ± 0.0004 Å
• α: 86.32 ± 0.001°
• β: 83.939 ± 0.001°
• γ: 62.972 ± 0.001°
• Cell volume: 1374.69 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No