Information card for entry 1515329

Structure parameters

• Formula: C34 H42 Cl2 N2
• Calculated formula: C34 H42 Cl2 N2
• SMILES: Clc1ccc(cc1)[C@H]([C@H](c1ccc(cc1)Cl)NC12C[C@H]3CC(C2)C[C@@H](C1)C3)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: 6.4218 ± 0.0005 Å
• b: 10.3 ± 0.002 Å
• c: 10.942 ± 0.001 Å
• α: 84.03 ± 0.02°
• β: 82.99 ± 0.01°
• γ: 83.11 ± 0.01°
• Cell volume: 710.22 ± 0.16 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: 0.0864
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No