Information card for entry 4511880

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: 5.7047 ± 0.0002 Å
• b: 16.8879 ± 0.0007 Å
• c: 6.5872 ± 0.0003 Å
• α: 90°
• β: 112.365 ± 0.001°
• γ: 90°
• Cell volume: 586.88 ± 0.04 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0418
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No