Information card for entry 2000861

Structure parameters

• Chemical name: 3-Hydroxy-1-oxatricyclo[4.3.0^2,8^.0^3,7^]-8-undecene (compound 3)
• Formula: C10 H14 O2
• Calculated formula: C10 H14 O2
• SMILES: O[C@]12CCC[C@@H]2C2=CCCO[C@H]12.O[C@@]12CCC[C@H]2C2=CCCO[C@@H]12
• Title of publication: Structural aspects of reactions based on `aggregative activation': structures of 3-oxatricyclo[6.3.0.0^2,7^]undec-6-en-1-ol and 6,7-epoxy-3-oxatricyclo[6.4.0.0^2,7^]dodecan-1-ol
• Authors of publication: Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Girardot, S.; Caubère, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1155 - 1160
• a: 5.493 ± 0.004 Å
• b: 7.262 ± 0.005 Å
• c: 22.459 ± 0.015 Å
• α: 98.51 ± 0.03°
• β: 93.75 ± 0.03°
• γ: 102.53 ± 0.02°
• Cell volume: 860.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0452
• Goodness-of-fit parameter for significantly intense reflections: 0.5248
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No