Information card for entry 2007603

Structure parameters

• Chemical name: 3-Hydroxy-2,16-dioxatetracyclo[9.4.0.0^3,8^.1^1,8^]hexadecane
• Formula: C14 H22 O3
• Calculated formula: C14 H22 O3
• SMILES: O1[C@@]23O[C@@]4(O)[C@]1(CC[C@H]3CCCC2)CCCC4.O1[C@]23O[C@]4(O)[C@@]1(CC[C@@H]3CCCC2)CCCC4
• Title of publication: 10,16-Dioxatetracyclo[7.6.1.0^1,11^.0^4,9^]hexadecan-11-ol
• Authors of publication: Parvez, Masood; Sultana, Naheed; Sarfaraz, Tahira B.; Husain, Shaheen A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1285 - 1287
• a: 21.558 ± 0.004 Å
• b: 6.5897 ± 0.0012 Å
• c: 18.861 ± 0.002 Å
• α: 90°
• β: 111.891 ± 0.01°
• γ: 90°
• Cell volume: 2486.2 ± 0.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.0964
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No