Information card for entry 7225032

Structure parameters

• Formula: C23 H20 N4 O2
• Calculated formula: C23 H20 N4 O2
• SMILES: O=C1Nc2c(C31n1c4c(nc1NC1=C3C(=O)CC(C1)(C)C)cccc4)cccc2
• Title of publication: A catalyst-free, one-pot multicomponent synthesis of spiro-benzimidazoquinazolinones via a Knoevenagel‒Michael-imine pathway: a microwave assisted approach
• Authors of publication: Maloo, Preeti; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.; Salunkhe, Manikrao M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 48
• Pages of publication: 41897
• a: 9.2047 ± 0.0004 Å
• b: 14.1206 ± 0.0007 Å
• c: 16.658 ± 0.0008 Å
• α: 75.9437 ± 0.0014°
• β: 74.4957 ± 0.0014°
• γ: 87.8667 ± 0.0015°
• Cell volume: 2022.99 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1303
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No