Information card for entry 2223985

Structure parameters

• Chemical name: 2-(Methoxymethyl)adamantan-2-yl 2-methylacrylate
• Formula: C16 H24 O3
• Calculated formula: C16 H24 O3
• SMILES: O(C1(C2CC3CC1CC(C3)C2)COC)C(=O)C(=C)C
• Title of publication: 2-(Methoxymethyl)adamantan-2-yl 2-methylacrylate
• Authors of publication: Meng, Qingwei; Li, Yueqing; Chen, Pingping; Zhao, Weijie; Yang, Jinzong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2824
• a: 14.1385 ± 0.0012 Å
• b: 7.5265 ± 0.0007 Å
• c: 13.9712 ± 0.0012 Å
• α: 90°
• β: 102.461 ± 0.006°
• γ: 90°
• Cell volume: 1451.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes