Information card for entry 7052686

Structure parameters

• Formula: C30 H34 N4 O3
• Calculated formula: C30 H34 N4 O3
• Title of publication: Novel approach towards the synthesis of skeletally diverse benzimidazole-pyrrolo[1,2-a]quinoxaline by SNAr/Pictet‒Spengler reaction under focused microwave irradiation
• Authors of publication: Maiti, Barnali; Sun, Chung-Ming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 1385
• a: 12.3481 ± 0.0006 Å
• b: 15.7551 ± 0.0008 Å
• c: 16.7496 ± 0.0009 Å
• α: 105.903 ± 0.002°
• β: 108.938 ± 0.002°
• γ: 93.046 ± 0.002°
• Cell volume: 2927.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1378
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2406
• Weighted residual factors for all reflections included in the refinement: 0.2707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No