Information card for entry 2022544

Structure parameters

• Common name: 9,10,20,21-Tetrahydro-5,14-(ethanooxyethano)dibenzo[<i>e</i>,<i>q</i>][1,4,10,13,7,16]tetraoxadiazacyclooctadecine-6,13-dione
• Chemical name: 8,11,21,24,29-Pentaoxa-1,18-diazatetracyclo[16.8.5.0^2,7^.0^12,17^]hentriaconta-2,4,6,12(17),13,15-hexaene-19,26-dione
• Formula: C24 H28 N2 O7
• Calculated formula: C24 H28 N2 O7
• SMILES: O1c2c(N3CCOCCN(c4c(OCC1)cccc4)C(=O)COCCOCC3=O)cccc2
• Title of publication: Synthesis and structures of three benzoannelated macrobicyclic diamides
• Authors of publication: Smith, Gary L. N.; Taylor, Richard W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 3
• a: 16.208 ± 0.008 Å
• b: 14.849 ± 0.008 Å
• c: 18.052 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4345 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes