Information card for entry 4500860

Structure parameters

• Formula: C128 H98 O4
• Calculated formula: C128 H98 O4
• Title of publication: Synthesis and Solid-State Rotational Dynamics of Molecular Gyroscopes with a Robust and Low Density Structure Built with a Phenylene Rotator and a Tri(meta-terphenyl)methyl Stator
• Authors of publication: O’Brien, Zachary J.; Natarajan, Arunkumar; Khan, Saeed; Garcia-Garibay, Miguel A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2654
• a: 11.226 ± 0.002 Å
• b: 21.458 ± 0.004 Å
• c: 22.428 ± 0.004 Å
• α: 106.694 ± 0.002°
• β: 92.651 ± 0.002°
• γ: 104.983 ± 0.001°
• Cell volume: 4956.4 ± 1.6 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: 0.1172
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No