Information card for entry 2233819

Structure parameters

• Chemical name: 10,16-Dichloro-6,20-dioxa-3,23- diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa- 1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate
• Formula: C26 H26 Cl2 N2 O5
• Calculated formula: C26 H26 Cl2 N2 O5
• Title of publication: 10,16-Dichloro-6,20-dioxa-3,23-diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa-1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate
• Authors of publication: Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o805 - o806
• a: 21.9905 ± 0.0003 Å
• b: 8.1864 ± 0.0001 Å
• c: 26.676 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4802.29 ± 0.1 ų
• Cell temperature: 119.9 K
• Ambient diffraction temperature: 119.9 K
• Number of distinct elements: 5
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes