Information card for entry 7105108

Structure parameters

• Formula: C60 H60 N9 O4
• Calculated formula: C60 H60 N9 O4
• Title of publication: Switching and tuning organic solid-state luminescence via a supramolecular approach
• Authors of publication: Savarimuthu Philip Anthony; Sunil Varughese; Sylvia M. Draper
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7500 - 7502
• a: 32.166 ± 0.002 Å
• b: 9.8996 ± 0.0007 Å
• c: 16.4069 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5224.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No