Information card for entry 7224034

Structure parameters

• Formula: C13 H16 N4 O3
• Calculated formula: C13 H16 N4 O3
• SMILES: O1C(=C(C(c2c1n[nH]c2C)(CC(=O)OCC)C)C#N)N
• Title of publication: Bovine Serum Albumin catalyzed one-pot, three-component synthesis of dihydropyrano[2,3-c]pyrazole derivatives in aqueous ethanol
• Authors of publication: Dalal, Kiran Sharad; Tayade, Yogesh Ashok; Wagh, Yogesh Baburao; Trivedi, Darshak R.; Dalal, Dipak Sharadrao; Chaudhari, Bhushan Liladhar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.683 ± 0.002 Å
• b: 8.2572 ± 0.0019 Å
• c: 11.518 ± 0.003 Å
• α: 92.271 ± 0.015°
• β: 96.041 ± 0.016°
• γ: 102.027 ± 0.015°
• Cell volume: 709.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0978
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No