Information card for entry 2235344

Structure parameters

• Chemical name: 24-Acetyl-8,11,14-trioxa-24,27- diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa- 2,4,6,15(20),16,18-hexaen-28-one
• Formula: C25 H28 N2 O5
• Calculated formula: C25 H28 N2 O5
• SMILES: [C@H]12c3ccccc3OCCOCCOc3ccccc3[C@H]([C@H]3CN(C[C@@H]1C3=O)C(=O)C)N2
• Title of publication: 24-Acetyl-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaen-28-one
• Authors of publication: Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Kolyadina, Nadezhda M.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2165 - o2166
• a: 17.1756 ± 0.0006 Å
• b: 11.1724 ± 0.0004 Å
• c: 22.6546 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4347.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes