Information card for entry 7124721

Structure parameters

• Formula: C38 H32 N4 O2
• Calculated formula: C38 H32 N4 O2
• Title of publication: Endohedral dynamics of push-pull rotor-functionalized cages.
• Authors of publication: Krick, Marcel; Holstein, Julian; Würtele, Christian; Clever, Guido H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 68
• Pages of publication: 10411 - 10414
• a: 11.4777 ± 0.0005 Å
• b: 15.9325 ± 0.0007 Å
• c: 17.0968 ± 0.0008 Å
• α: 90°
• β: 103.233 ± 0.002°
• γ: 90°
• Cell volume: 3043.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No