Information card for entry 1555368

Structure parameters

• Formula: C19 H21 N2 O2.5
• Calculated formula: C19 H21 N2 O2.5
• SMILES: OC.O.N1c2c3c(cccc3)NC(c2C(=O)c2ccccc12)(C)C
• Title of publication: Dibenzonaphthyridinones: Heterocycle-to-Heterocycle Synthetic Strategies and Photophysical Studies.
• Authors of publication: Palazzo, Teresa A.; Patra, Digambara; Yang, Joung S.; El Khoury, Elsy; Appleton, Mackenzie G.; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 5732 - 5735
• a: 9.5014 ± 0.001 Å
• b: 17.2076 ± 0.0019 Å
• c: 9.9401 ± 0.001 Å
• α: 90°
• β: 90.682 ± 0.002°
• γ: 90°
• Cell volume: 1625.1 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No