Information card for entry 2200212

Structure parameters

• Formula: C21 H24 N2 O2
• Calculated formula: C21 H24 N2 O2
• SMILES: C1C/N=C/c2ccccc2OCCCCOc2c(/C=N/C1)cccc2
• Title of publication: 2,7-Dioxa-15,19-diazatricyclo[19,4,0,0^8,13^]pentacosa-8,10,12,21,23,25(1)-hexaene
• Authors of publication: Hökelek, Tuncer; Kaya, Elif Ece; Kılıç, Zeynel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o309 - o311
• a: 14.231 ± 0.008 Å
• b: 15.663 ± 0.0014 Å
• c: 8.206 ± 0.004 Å
• α: 90°
• β: 103.044 ± 0.008°
• γ: 90°
• Cell volume: 1781.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes