Information card for entry 2214763

Structure parameters

• Chemical name: 1,1,6,6-Tetrakis(4-ethylphenyl)-1,2,3,4,5-hexapentaene
• Formula: C38 H36
• Calculated formula: C38 H36
• SMILES: CCc1ccc(cc1)C(=C=C=C=C=C(c1ccc(cc1)CC)c1ccc(cc1)CC)c1ccc(cc1)CC
• Title of publication: 1,1,6,6-Tetrakis(4-ethylphenyl)-1,2,3,4,5-hexapentaene
• Authors of publication: Suzuki, Noriyuki; Hashizume, Daisuke; Chihara, Teiji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3436 - o3436
• a: 6.233 ± 0.003 Å
• b: 7.819 ± 0.003 Å
• c: 15.06 ± 0.006 Å
• α: 93.849 ± 0.007°
• β: 96.353 ± 0.006°
• γ: 105.908 ± 0.008°
• Cell volume: 697.9 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes