Information card for entry 7226602

Structure parameters

• Formula: C27 H22 N2 O
• Calculated formula: C27 H22 N2 O
• SMILES: o1c2c(cccc2)c2c3nc4c(n3c(c3ccc(C(C)(C)C)cc3)cc12)cccc4
• Title of publication: Metal-free regioselective tandem synthesis of diversely substituted benzimidazo-fused polyheterocycles in aqueous medium
• Authors of publication: Mishra, Pawan K.; Verma, Akhilesh K.
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6367
• a: 18.7062 ± 0.0012 Å
• b: 8.1149 ± 0.0005 Å
• c: 28.815 ± 0.002 Å
• α: 90°
• β: 106.281 ± 0.007°
• γ: 90°
• Cell volume: 4198.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No