Information card for entry 7238056

Structure parameters

• Formula: C40 H35 N3 O2
• Calculated formula: C40 H35 N3 O2
• Title of publication: Fused pyrazole-phenanthridine based dyads: synthesis, photo-physical and theoretical studies, and live cell pH imaging
• Authors of publication: Muthukumar, Venkatesan; Munusamy, Sathishkumar; Thirumoorthy, Krishnan; Sawminathan, Sathish; KulathuIyer, Sathiyanarayanan
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 66
• Pages of publication: 38687
• a: 10.9812 ± 0.0006 Å
• b: 11.0146 ± 0.0006 Å
• c: 13.6821 ± 0.0008 Å
• α: 105.918 ± 0.002°
• β: 94.241 ± 0.002°
• γ: 92.164 ± 0.002°
• Cell volume: 1584.17 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0771
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No