Information card for entry 2200219

Structure parameters

• Chemical name: 1-(2-propynyloxy)-tricyclo[3.3.1.1^3,7^]decane
• Formula: C13 H18 O
• Calculated formula: C13 H18 O
• SMILES: O(C12CC3CC(CC(C1)C3)C2)CC#C
• Title of publication: 1-Adamantyl propargyl ether
• Authors of publication: Mague, Joel T.; Alworth, William L.; Foroozesh, Maryam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o220 - o221
• a: 7.4432 ± 0.0002 Å
• b: 10.9094 ± 0.0002 Å
• c: 13.2137 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1072.96 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes