Information card for entry 7127823

Structure parameters

• Formula: C29 H22 N2 O3
• Calculated formula: C29 H22 N2 O3
• SMILES: N12C(=NC(=O)c3c1cccc3)C(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1c2cccc1
• Title of publication: Synthesis of quaternary carbon-centered indolo[1,2-<i>a</i>]quinazolinones and indazolo[1,2-<i>a</i>]indazolones <i>via</i> C-H functionalization.
• Authors of publication: Gogoi, Kongkona; Bora, Bidisha R.; Borah, Geetika; Sarma, Bipul; Gogoi, Sanjib
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1388 - 1391
• a: 12.216 ± 0.0005 Å
• b: 12.0622 ± 0.0005 Å
• c: 14.8049 ± 0.0006 Å
• α: 90°
• β: 94.702 ± 0.002°
• γ: 90°
• Cell volume: 2174.19 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No