Information card for entry 1560436

Structure parameters

• Chemical name: 2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione
• Formula: C13 H10 O2
• Calculated formula: C13 H10 O2
• SMILES: O=C1c2c(C(=O)C3=C1CCC3)cccc2
• Title of publication: 2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione
• Authors of publication: Kotha, Sambasivarao; Fatma, Ambareen; Ansari, Saima
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 2
• Pages of publication: x210167
• a: 7.4781 ± 0.0001 Å
• b: 7.4781 ± 0.0001 Å
• c: 33.0219 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1846.65 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0523
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes