Information card for entry 7239328

Structure parameters

• Formula: C39 H36
• Calculated formula: C39 H36
• Title of publication: Effective cholesteric liquid crystal inducers based on axially chiral alleno-acetylenes
• Authors of publication: Wezenberg, Sander J.; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Ferrarini, Alberta; Spada, Gian Piero; Diederich, François
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 45
• Pages of publication: 22845
• a: 5.8859 ± 0.0005 Å
• b: 27.177 ± 0.002 Å
• c: 18.4902 ± 0.0014 Å
• α: 90°
• β: 94.2 ± 0.003°
• γ: 90°
• Cell volume: 2949.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No