Information card for entry 1555447

Structure parameters

• Chemical name: 7-methoxy-1-(4-methoxyphenyl)-9H-fluoren-9-one
• Formula: C21 H16 O3
• Calculated formula: C21 H16 O3
• SMILES: O(c1ccc(c2c3C(=O)c4cc(OC)ccc4c3ccc2)cc1)C
• 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: 15.108 ± 0.0007 Å
• b: 7.54 ± 0.0005 Å
• c: 27.9119 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3179.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No