Information card for entry 4130242

Structure parameters

• Formula: C206 H162 N4
• Calculated formula: C206 H162 N4
• Title of publication: Crystal Fluidity Reflected by Fast Rotational Motion at the Core, Branches, and Peripheral Aromatic Groups of a Dendrimeric Molecular Rotor.
• Authors of publication: Jiang, Xing; O'Brien, Zachary J; Yang, Song; Lai, Lan Huong; Buenaflor, Jeffrey; Tan, Colleen; Khan, Saeed; Houk, K. N.; Garcia-Garibay, Miguel A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 13
• Pages of publication: 4650 - 4656
• a: 10.4496 ± 0.0005 Å
• b: 21.0182 ± 0.001 Å
• c: 23.6119 ± 0.001 Å
• α: 114.188 ± 0.002°
• β: 96.984 ± 0.003°
• γ: 97.993 ± 0.002°
• Cell volume: 4592.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No