Information card for entry 1515854

Structure parameters

• Formula: C30 H28 N2
• Calculated formula: C30 H28 N2
• Title of publication: Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors
• Authors of publication: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 102
• a: 18.9732 ± 0.0007 Å
• b: 14.5707 ± 0.0005 Å
• c: 8.6223 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2383.66 ± 0.16 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 3
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No