Information card for entry 7714058

Structure parameters

• Formula: C56 H62
• Calculated formula: C56 H62
• Title of publication: Functionalised organometallic photoswitches containing dihydropyrene units
• Authors of publication: Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.6557 ± 0.0002 Å
• b: 12.9547 ± 0.0002 Å
• c: 18.6848 ± 0.0003 Å
• α: 90°
• β: 101.938 ± 0.001°
• γ: 90°
• Cell volume: 2286.67 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No