Information card for entry 4504566

Structure parameters

• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: O=C(c1ccc(cc1)c1ccc(OC)cc1)C
• Title of publication: Dipole Parallel-Alignment in the Crystal Structure of a Polar Biphenyl: 4'-Acetyl-4-Methoxybiphenyl (AMB).
• Authors of publication: Glaser, Rainer; Knotts, Nathan; Wu, Zhengyu; Barnes, Charles L.
• Journal of publication: Crystal growth & design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 235 - 240
• a: 7.9 ± 0.006 Å
• b: 5.429 ± 0.004 Å
• c: 26.8 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1149.4 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.1062
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No