Information card for entry 2214084

Structure parameters

• Common name: 15-crown-5
• Chemical name: 1,4,7,10,13-pentaoxacylopentadecane
• Formula: C10 H20 O5
• Calculated formula: C10 H20 O5
• SMILES: O1CCOCCOCCOCCOCC1
• Title of publication: 15-Crown-5
• Authors of publication: Simon Parsons
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3130 - o3130
• a: 8.7954 ± 0.0001 Å
• b: 8.7954 ± 0.0001 Å
• c: 30.0676 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2326 ± 0.09 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes