Information card for entry 4511878

Structure parameters

• Formula: C16 H16
• Calculated formula: C16 H16
• Title of publication: What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?
• Authors of publication: Harada, Jun; Ogawa, Keiichiro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5182
• a: 5.8389 ± 0.0004 Å
• b: 17.2035 ± 0.0012 Å
• c: 6.6533 ± 0.0005 Å
• α: 90°
• β: 112.747 ± 0.001°
• γ: 90°
• Cell volume: 616.34 ± 0.08 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 2
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No