Information card for entry 4502150

Structure parameters

• Common name: para-butylphenol
• Chemical name: 4-t-butylphenol
• Formula: C10 H14 O
• Calculated formula: C10 H14 O
• Title of publication: Hirshfeld Surface Analysis of Substituted Phenols
• Authors of publication: Martin, Adam D.; Hartlieb, Karel J.; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 5302
• a: 6.2213 ± 0.0002 Å
• b: 11.9145 ± 0.0004 Å
• c: 37.398 ± 0.001 Å
• α: 98.779 ± 0.003°
• β: 93.944 ± 0.002°
• γ: 93.235 ± 0.002°
• Cell volume: 2726.81 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No