Information card for entry 2218713

Structure parameters

• Chemical name: 2-(Tricyclo[3.3.1.1^3,7^]dec-2-ylamino)ethanol hemihydrate
• Formula: C12 H22 N O1.5
• Calculated formula: C12 H22 N O1.5
• SMILES: C12C(C3CC(CC(C1)C3)C2)NCCO.O
• Title of publication: 2-(Tricyclo[3.3.1.1^3,7^]dec-2-ylamino)ethanol hemihydrate
• Authors of publication: Boyle, Grant A.; Govender, Thavendran; Kruger, Hendrik G.; Onajole, Oluseye K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1228
• a: 11.6739 ± 0.0003 Å
• b: 6.5043 ± 0.0002 Å
• c: 28.6241 ± 0.0007 Å
• α: 90°
• β: 99.862 ± 0.001°
• γ: 90°
• Cell volume: 2141.33 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes