Information card for entry 4032741

Structure parameters

• Formula: C24 H14 O4
• Calculated formula: C24 H14 O4
• SMILES: Oc1c2C3c4ccccc4C(c2c(O)c2c1C(=O)C=CC2=O)c1c3cccc1
• Title of publication: Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.
• Authors of publication: Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 14
• Pages of publication: 7470 - 7480
• a: 7.9933 ± 0.0007 Å
• b: 8.6795 ± 0.0007 Å
• c: 13.2531 ± 0.0011 Å
• α: 78.2587 ± 0.0013°
• β: 78.0645 ± 0.0013°
• γ: 67.9603 ± 0.0012°
• Cell volume: 825.78 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No