Information card for entry 2023473

Structure parameters

• Chemical name: 4,9,9-Trimethoxybicyclo[3.3.1]non-3-en-2-ol
• Formula: C12 H20 O4
• Calculated formula: C12 H20 O4
• Title of publication: Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.
• Authors of publication: König, Julien A; Morgenstern, Bernd; Jauch, Johann
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 5
• Pages of publication: 405 - 411
• a: 7.733 ± 0.0015 Å
• b: 10.976 ± 0.002 Å
• c: 13.874 ± 0.003 Å
• α: 101.984 ± 0.005°
• β: 92.032 ± 0.005°
• γ: 90.293 ± 0.005°
• Cell volume: 1151.1 ± 0.4 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No