Information card for entry 1515326

Structure parameters

• Formula: C22 H28 Cl N
• Calculated formula: C22 H28 Cl N
• SMILES: Clc1ccc(cc1)[C@@H](C1CCCC1)NC12C[C@H]3CC(C2)C[C@@H](C1)C3.Clc1ccc(cc1)[C@H](C1CCCC1)NC12C[C@@H]3CC(C2)C[C@H](C1)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: 9.2529 ± 0.0009 Å
• b: 15.6034 ± 0.0008 Å
• c: 12.4998 ± 0.001 Å
• α: 90°
• β: 91.055 ± 0.009°
• γ: 90°
• Cell volume: 1804.4 ± 0.2 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: 0.0555
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No