Information card for entry 4031746

Structure parameters

• Formula: C24 H24 N2
• Calculated formula: C24 H24 N2
• SMILES: C1N2c3c(cc(cc3)C)CN1c1c(cc(C)cc1)C2Cc1ccccc1
• Title of publication: A Protocol for the exo-Mono and exo,exo-Bis Functionalization of the Diazocine Ring of Tröger's Base.
• Authors of publication: Dawaigher, Sami; Månsson, Kristoffer; Ascic, Erhad; Artacho, Josep; Mårtensson, Roger; Loganathan, Nagarajan; Wendt, Ola F.; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 24
• Pages of publication: 12006 - 12014
• a: 10.401 ± 0.004 Å
• b: 10.577 ± 0.003 Å
• c: 17.112 ± 0.005 Å
• α: 90°
• β: 103.01 ± 0.03°
• γ: 90°
• Cell volume: 1834.2 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.1846
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No