Information card for entry 2240894

Structure parameters

• Common name: 10,10-Dichloro-2,7,7,11-tetramethyl-3-oxatetracyclo[6.5.0.0^2,4^.0^9,11^]tridecane
• Chemical name: (1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>)-3,3-Dichloro-8,9-epoxy-4,8,12,12-tetramethyltricyclo[5.5.0.0^2,4^]dodecane
• Formula: C16 H24 Cl2 O
• Calculated formula: C16 H24 Cl2 O
• SMILES: [C@H]12[C@@H]3C([C@@]3(CC[C@H]1[C@]1([C@@H](CCC2(C)C)O1)C)C)(Cl)Cl
• Title of publication: Crystal structure of (1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>)-3,3-dichloro-8,9-epoxy-4,8,12,12-tetramethyltricyclo[5.5.0.0^2,4^]dodecane
• Authors of publication: Benzalim, Ahmed; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o538 - o539
• a: 8.7706 ± 0.0005 Å
• b: 10.5467 ± 0.0004 Å
• c: 9.1639 ± 0.0005 Å
• α: 90°
• β: 115.71 ± 0.007°
• γ: 90°
• Cell volume: 763.75 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes