Information card for entry 7221832

Structure parameters

• Chemical name: (1r,2R,6S,8r,10R,14S)-5,7,9,11- tetraoxatetracyclo[6.6.0.0^2,6^.0^10,14^]tetradecane
• Formula: C10 H14 O4
• Calculated formula: C10 H14 O4
• SMILES: O1CC[C@@H]2C3[C@@H]4CCO[C@@H]4OC3O[C@H]12
• Title of publication: The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C–H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran
• Authors of publication: Rashid, Showkat; Bhat, Bilal A.; Sen, Saikat; Mehta, Goverdhan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 87
• Pages of publication: 70899
• a: 10.42 ± 0.005 Å
• b: 5.899 ± 0.003 Å
• c: 15.377 ± 0.008 Å
• α: 90°
• β: 94.096 ± 0.007°
• γ: 90°
• Cell volume: 942.8 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No