Information card for entry 7109168

Structure parameters

• Formula: C21 H17 N O
• Calculated formula: C21 H17 N O
• SMILES: O1C2(c3c(N(c4c2cccc4)C)cccc3)c2c(C1)cccc2
• Title of publication: Molecular photoswitches based on spiro-acridans
• Authors of publication: Alina Raskosova; Reinhard Stosser; Werner Abraham
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3964
• a: 10.616 ± 0.0005 Å
• b: 12.2924 ± 0.0006 Å
• c: 12.6394 ± 0.0006 Å
• α: 77.384 ± 0.004°
• β: 72.856 ± 0.004°
• γ: 72.749 ± 0.004°
• Cell volume: 1489.62 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No