Information card for entry 4023313

Structure parameters

• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: C1(=O)c2ccc(cc2C(=O)c2ccc(cc12)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Electronic Properties of Sterically Demanding N-Arylphenothiazines and Unexpected Buchwald-Hartwig Aminations
• Authors of publication: Adam W. Franz; Frank Rominger; Thomas J. J. Müller
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1795 - 1802
• a: 6.1109 ± 0.0005 Å
• b: 8.1002 ± 0.0007 Å
• c: 9.9882 ± 0.0008 Å
• α: 107.22 ± 0.002°
• β: 104.065 ± 0.002°
• γ: 102.182 ± 0.002°
• Cell volume: 436.21 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0871
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No