Information card for entry 1513498

Structure parameters

• Formula: C26 H23 N3 O
• Calculated formula: C26 H23 N3 O
• SMILES: Oc1ccc2c(c1)n(c1ccccc1)c(n2)Nc1ccccc1.Cc1ccccc1
• Title of publication: Reaction of Quinones and Guanidine Derivatives: Simple Access to Bis-2-aminobenzimidazole Moiety of Benzosceptrin and Other Benzazole Motifs.
• Authors of publication: Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 920 - 923
• a: 10.794 ± 0.002 Å
• b: 12.496 ± 0.003 Å
• c: 16.394 ± 0.003 Å
• α: 89.375 ± 0.005°
• β: 84.6 ± 0.004°
• γ: 76.159 ± 0.004°
• Cell volume: 2137.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No