Information card for entry 1515325

Structure parameters

• Formula: C18 H23 N O
• Calculated formula: C18 H23 N O
• SMILES: O(c1ccc(/C=N/C23CC4CC(C2)CC(C3)C4)cc1)C
• Title of publication: Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.
• Authors of publication: Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2012
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 908 - 913
• a: 6.7598 ± 0.0004 Å
• b: 6.7421 ± 0.0002 Å
• c: 15.7289 ± 0.0005 Å
• α: 90°
• β: 93.646 ± 0.004°
• γ: 90°
• Cell volume: 715.4 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No