Information card for entry 2008274

Structure parameters

• Formula: C22 H26 N2 O3
• Calculated formula: C22 H26 N2 O3
• SMILES: O1c2c(C=NCCCCN=Cc3c(OCCOCC1)cccc3)cccc2
• Title of publication: 5,6,7,8,9,10,11,12,18,19,21,22-Dodecahydro-8,9:18,19-dibenzo-1,4,7-trioxa-11,16-diazacyclononadeca-10,16-diene
• Authors of publication: Hökelek, Tuncer; Kılıç, Zeynel; Bi̇lge, Selen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 381 - 383
• a: 8.001 ± 0.001 Å
• b: 15.639 ± 0.001 Å
• c: 16.405 ± 0.001 Å
• α: 90°
• β: 94.15 ± 0.01°
• γ: 90°
• Cell volume: 2047.3 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No