Information card for entry 7245081

Structure parameters

• Formula: C22 H23 N3 O3
• Calculated formula: C22 H21 N3 O3
• SMILES: C1(=O)C2(c3ccccc3N1)C1=C(CC(CC1=O)(C)C)Nc1c(cccc1)N2.O
• Title of publication: Graphite oxide catalyzed one-pot synthesis of highly functionalized spirodibenzo[1,4]diazepine derivatives in aqueous ethanol medium
• Authors of publication: Sarkar, Rajib; Dam, Binoyargha; Kyndiah, Lenida; Sarkar, Fillip Kumar; Gajurel, Sushmita; Pal, Amarta Kumar
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 5579 - 5591
• a: 12.921 ± 0.003 Å
• b: 22.128 ± 0.005 Å
• c: 14.966 ± 0.004 Å
• α: 90°
• β: 113.873 ± 0.007°
• γ: 90°
• Cell volume: 3912.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1501
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No