Information card for entry 2218906

Structure parameters

• Chemical name: <i>N</i>-(prop-2-ynyl)tricyclo[3.3.1.1^3,7^]decane-1-carboxamide
• Formula: C14 H19 N O
• Calculated formula: C14 H19 N O
• SMILES: O=C(NCC#C)C12CC3CC(C1)CC(C2)C3
• Title of publication: A new polymorph of <i>N</i>-(prop-2-ynyl)tricyclo[3.3.1.1^3,7^]decane-1-carboxamide
• Authors of publication: Frey, Wolfgang; Schetter, Stefanie; Rominger, Frank; Hashmi, A. Stephen K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1495
• a: 9.862 ± 0.002 Å
• b: 28.095 ± 0.005 Å
• c: 8.664 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2400.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes