Information card for entry 7229593

Structure parameters

• Formula: C30 H17 O P S2
• Calculated formula: C30 H17 O P S2
• SMILES: s1c2P(=O)(c3sc4c(c3c2c2c3ccccc3ccc12)c1ccccc1cc4)c1ccccc1
• Title of publication: Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton.
• Authors of publication: Uematsu, K.; Noguchi, K.; Nakano, K.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 3286 - 3295
• a: 12.014 ± 0.0002 Å
• b: 9.11776 ± 0.00017 Å
• c: 21.2612 ± 0.0004 Å
• α: 90°
• β: 104.426 ± 0.0007°
• γ: 90°
• Cell volume: 2255.54 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No