Information card for entry 2219628

Structure parameters

• Common name: Dibenzo-18-crown-6
• Chemical name: 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecene
• Formula: C20 H24 O6
• Calculated formula: C20 H24 O6
• SMILES: C1COCCOc2ccccc2OCCOCCOc2ccccc2O1
• Title of publication: Dibenzo-18-crown-6
• Authors of publication: Lima, Geraldo M. de; Wardell, James L.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2001
• a: 4.902 ± 0.003 Å
• b: 28.58 ± 0.02 Å
• c: 25.06 ± 0.02 Å
• α: 90°
• β: 92.049 ± 0.008°
• γ: 90°
• Cell volume: 3509 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2862
• Weighted residual factors for all reflections included in the refinement: 0.2944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.6946 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes