Information card for entry 1555448

Structure parameters

• Chemical name: 2,7-dimethoxy-9H-fluoren-9-one
• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• SMILES: O=C1c2c(c3ccc(OC)cc13)ccc(OC)c2
• Title of publication: Domino Oxidative [Pd]-Catalysis: One-Pot Synthesis of Fluorenones Starting from Simple Benzylamines and Iodo Arenes.
• Authors of publication: Ravi Kumar, Devarapalli; Satyanarayana, Gedu
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 5894 - 5897
• a: 7.8593 ± 0.001 Å
• b: 4.0079 ± 0.0005 Å
• c: 36.679 ± 0.004 Å
• α: 90°
• β: 93.567 ± 0.011°
• γ: 90°
• Cell volume: 1153.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2458
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No