Information card for entry 2238297

Structure parameters

• Common name: 5-Phenyl-3,5-dihydro-<i>o</i>-benzenonaphtho[1,2-<i>c</i>]thiophene
• Chemical name: 8-Phenyl-16-thiapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaene
• Formula: C24 H18 S
• Calculated formula: C24 H18 S
• SMILES: S1CC2=CC3(c4ccccc4)c4ccccc4C2(c2c3cccc2)C1
• Title of publication: 8-Phenyl-16-thiapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaene
• Authors of publication: Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1165
• a: 18.8842 ± 0.0011 Å
• b: 9.5339 ± 0.0004 Å
• c: 19.114 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3441.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes