Information card for entry 7210839

Structure parameters

• Formula: C30 H30 O6
• Calculated formula: C30 H30 O6
• SMILES: c1(cc(cc(c1)c1cc(cc(c1)OC)OC)c1cc(cc(c1)OC)OC)c1cc(cc(c1)OC)OC
• Title of publication: Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries
• Authors of publication: Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 6845
• a: 10.6996 ± 0.0004 Å
• b: 10.814 ± 0.0004 Å
• c: 11.0347 ± 0.0004 Å
• α: 84.07 ± 0.002°
• β: 89.396 ± 0.002°
• γ: 87.954 ± 0.002°
• Cell volume: 1269.1 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No