Information card for entry 2104097

Structure parameters

• Common name: 4,4'-bis(diethylamino)benzophenone
• Formula: C21 H28 N2 O
• Calculated formula: C21 H28 N2 O
• SMILES: CCN(c1ccc(cc1)C(=O)c1ccc(cc1)N(CC)CC)CC
• Title of publication: Conformations of substituted benzophenones
• Authors of publication: Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: 206 - 216
• a: 16.8519 ± 0.0006 Å
• b: 8.0488 ± 0.0003 Å
• c: 14.306 ± 0.0005 Å
• α: 90°
• β: 104.639 ± 0.0018°
• γ: 90°
• Cell volume: 1877.44 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes