Information card for entry 2018718

Structure parameters

• Common name: <i>m</i>-quinquephenyl
• Chemical name: 1,1':3',1'':3'',1''':3''',1''''-quinquephenyl
• Formula: C30 H22
• Calculated formula: C30 H22
• SMILES: c1(ccccc1)c1cc(ccc1)c1cc(ccc1)c1cc(ccc1)c1ccccc1
• Title of publication: A low-temperature polymorph of <i>m</i>-quinquephenyl
• Authors of publication: Gomes, Ligia R.; Howie, R. Alan; Low, John Nicolson; Rodrigues, Ana S. M. C.; Santos, Luís M. N. B. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o492 - o497
• a: 13.574 ± 0.0007 Å
• b: 7.1809 ± 0.0004 Å
• c: 42.833 ± 0.002 Å
• α: 90°
• β: 99.274 ± 0.004°
• γ: 90°
• Cell volume: 4120.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes