Information card for entry 2005939

Structure parameters

• Chemical name: 9,10-dihydro-9-oxo-10-acridineacetic acid
• Formula: C15 H11 N O3
• Calculated formula: C15 H11 N O3
• SMILES: OC(=O)CN1c2ccccc2C(=O)c2ccccc12
• Title of publication: 9,10-Dihydro-9-oxo-10-acridineacetic Acid
• Authors of publication: Dobrzynska, D.; Turowska-Tyrk, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 238 - 239
• a: 9.77 ± 0.001 Å
• b: 16.018 ± 0.004 Å
• c: 7.575 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1185.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.103
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No