Information card for entry 7159966

Structure parameters

• Formula: C21 H14 N2 O
• Calculated formula: C21 H14 N2 O
• Title of publication: Harnessing the benzyne insertion consequence to enable π-extended pyrido-acridine and quinazolino-phenanthridine.
• Authors of publication: Ghosh, Swarnali; Das, Dwaipayan; Mandal, Rahul Dev; Das, Asish R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 27
• Pages of publication: 5591 - 5602
• a: 35.11 ± 0.04 Å
• b: 5.38 ± 0.006 Å
• c: 15.739 ± 0.018 Å
• α: 90°
• β: 94.649 ± 0.016°
• γ: 90°
• Cell volume: 2963 ± 6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0795
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No