Information card for entry 7239327

Structure parameters

• Formula: C27 H30 N6
• Calculated formula: C27 H30 N6
• 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: 11.2921 ± 0.0006 Å
• b: 18.9103 ± 0.0013 Å
• c: 11.3518 ± 0.0008 Å
• α: 90°
• β: 96.286 ± 0.004°
• γ: 90°
• Cell volume: 2409.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No