Information card for entry 7247911

Structure parameters

• Common name: C6Ph6
• Chemical name: Hexaphenylbenzene
• Formula: C42 H30
• Calculated formula: C42 H30
• Title of publication: The crystal structure of hexaphenylbenzene under high hydrostatic pressure
• Authors of publication: Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 459 - 467
• a: 11.4952 ± 0.0015 Å
• b: 19.71 ± 0.03 Å
• c: 11.7143 ± 0.0018 Å
• α: 90°
• β: 91.02 ± 0.013°
• γ: 90°
• Cell volume: 2654 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 1050000 kPa
• Ambient diffracton pressure: 1050000 kPa
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1852
• Residual factor for significantly intense reflections: 0.1242
• Weighted residual factors for significantly intense reflections: 0.3226
• Weighted residual factors for all reflections included in the refinement: 0.3682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No