Information card for entry 1557052

Structure parameters

• Common name: 12CM007
• Formula: C22 H28 N
• Calculated formula: C22 H28 N
• Title of publication: Singlet oxygen stimulus for switchable functional organic cages
• Authors of publication: Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1478 - 1484
• a: 5.899 ± 0.002 Å
• b: 7.547 ± 0.003 Å
• c: 20.535 ± 0.008 Å
• α: 83.465 ± 0.009°
• β: 84.681 ± 0.01°
• γ: 82.512 ± 0.008°
• Cell volume: 897.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0942
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No