Information card for entry 1515327

Structure parameters

• Formula: C23 H30 Cl N
• Calculated formula: C23 H30 Cl N
• SMILES: Clc1ccc([C@H](NC23CC4CC(C2)CC(C3)C4)[C@H]2C=CCCC2)cc1.Clc1ccc([C@@H](NC23CC4CC(C2)CC(C3)C4)[C@@H]2C=CCCC2)cc1
• 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: 9.6458 ± 0.0008 Å
• b: 15.645 ± 0.002 Å
• c: 12.6055 ± 0.0007 Å
• α: 90°
• β: 91.295 ± 0.006°
• γ: 90°
• Cell volume: 1901.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No