Information card for entry 7158029

Structure parameters

• Formula: C26 H23 N2 O4 P
• Calculated formula: C26 H23 N2 O4 P
• SMILES: P(=O)(OC)(OC)c1[nH]nc(C(=C\C(=O)c2ccccc2)/c2ccccc2)c1c1ccccc1
• Title of publication: Regioselective synthesis of functionalized pyrazole-chalcones <i>via</i> a base mediated reaction of diazo compounds with pyrylium salts.
• Authors of publication: Devi, Lalita; Sharma, Gaurav; Kant, Ruchir; Shukla, Sanjeev K.; Rastogi, Namrata
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4132 - 4136
• a: 8.83667 ± 0.00015 Å
• b: 12.0256 ± 0.0002 Å
• c: 12.1039 ± 0.0002 Å
• α: 83.6482 ± 0.0015°
• β: 74.9958 ± 0.0016°
• γ: 70.8882 ± 0.0016°
• Cell volume: 1173.43 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No