Information card for entry 2011012

Structure parameters

• Chemical name: 4,13-(1',10'-Decandioxy)hexahelicen
• Formula: C36 H34 O2
• Calculated formula: C36 H34 O2
• SMILES: O1c2c3ccc4ccc5c(c4c3ccc2)c2c(ccc3c(OCCCCCCCCCC1)cccc23)cc5
• Title of publication: Two strained hexahelicenophanes
• Authors of publication: Meier, Herbert; Schwertel, Manfred; Schollmeyer, Dieter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 684 - 686
• a: 16.8803 ± 0.0005 Å
• b: 16.1855 ± 0.0004 Å
• c: 19.3262 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5280.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No