Information card for entry 2022543

Structure parameters

• Common name: 9,10,20,21-Tetrahydro-5,14-(ethanooxyethanooxyethano)dibenzo[<i>e</i>,<i>q</i>]-[1,4,10,13,7,16]tetraoxadiazacyclooctadecine-6,13-dione
• Chemical name: 8,11,21,24,29,32-Hexaoxa-1,18-diazatetracyclo[16.8.8.0^2,7^.0^12,17^]tetratriaconta-2,4,6,12(17),13,15-hexaene-19,26-dione
• Formula: C26 H32 N2 O8
• Calculated formula: C26 H32 N2 O8
• SMILES: O1c2c(N3CCOCCOCCN(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: 8.697 ± 0.004 Å
• b: 9.203 ± 0.004 Å
• c: 15.916 ± 0.006 Å
• α: 75.369 ± 0.008°
• β: 82.049 ± 0.008°
• γ: 89.151 ± 0.008°
• Cell volume: 1220.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.073
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes