Information card for entry 7238218

Structure parameters

• Common name: Phenylmethanol
• Chemical name: Phenylmethanol
• Formula: C7 H8 O
• Calculated formula: C7 H8 O
• Title of publication: Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives
• Authors of publication: Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3112
• a: 5.84 ± 0.005 Å
• b: 4.871 ± 0.004 Å
• c: 10.764 ± 0.01 Å
• α: 90°
• β: 91.656 ± 0.016°
• γ: 90°
• Cell volume: 306.1 ± 0.5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2386
• Weighted residual factors for all reflections included in the refinement: 0.2555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No