Information card for entry 7234164

Structure parameters

• Chemical name: 11-(2-fluorophenyl)-2,3,5,6-tetraoxa-11-azaspiro[bicyclo[5.3.1]undecane-4,1'-cyclohexane]
• Formula: C17 H22 F N O4
• Calculated formula: C17 H22 F N O4
• Title of publication: New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes
• Authors of publication: Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 51
• Pages of publication: 29949
• a: 6.4738 ± 0.0003 Å
• b: 10.2056 ± 0.0009 Å
• c: 12.4931 ± 0.001 Å
• α: 75.029 ± 0.007°
• β: 80.67 ± 0.006°
• γ: 88.09 ± 0.006°
• Cell volume: 786.81 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No