Information card for entry 1515321

Structure parameters

• Formula: C17 H21 N
• Calculated formula: C17 H21 N
• SMILES: N(=C\c1ccccc1)/C12CC3CC(C1)CC(C2)C3
• 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: 6.4052 ± 0.0004 Å
• b: 7.0492 ± 0.0005 Å
• c: 29.396 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1327.27 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No