Information card for entry 7213342

Structure parameters

• Formula: C16 H27 N O2
• Calculated formula: C16 H27 N O2
• Title of publication: Ritter reactions. Part 14. Rearrangement of 3,3,7,7-tetramethyl-6-methylidenebicyclo[3.3.1]nonan-2-one
• Authors of publication: Djaidi, Djamal; Leung, Ivy S. H.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2037
• a: 13.73 ± 0.005 Å
• b: 11.477 ± 0.004 Å
• c: 9.621 ± 0.004 Å
• α: 90°
• β: 96.43 ± 0.02°
• γ: 90°
• Cell volume: 1506.5 ± 1 ų
• Cell temperature: 294 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 significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.81
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No