Information card for entry 2200044

Structure parameters

• Common name: N,N'-diacetyl-1,13-diaza-24-crown-8
• Chemical name: N,N'-Diacetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane
• Formula: C20 H38 N2 O8
• Calculated formula: C20 H38 N2 O8
• SMILES: CC(=O)N1CCOCCOCCOCCN(CCOCCOCCOCC1)C(=O)C
• Title of publication: <i>N</i>,<i>N</i>'-Diacetyl-1,13-diaza-24-crown-8
• Authors of publication: Bryan, Jeffrey C.; Marchand, Alan P.; Hazlewood, Anna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o13 - o15
• a: 7.4145 ± 0.0012 Å
• b: 8.145 ± 0.002 Å
• c: 10.299 ± 0.003 Å
• α: 98.95 ± 0.02°
• β: 105.103 ± 0.018°
• γ: 108.424 ± 0.017°
• Cell volume: 550.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes