Information card for entry 2103789

Structure parameters

• Chemical name: (1$2!,8$2!-Dihydroxy-1,8(1,3)-dibenzena-1,6-diaza-9,12,15,18-tetraoxacyclooctade caphane-2,6-diene)
• Formula: C22 H26 N2 O6
• Calculated formula: C22 H24 N2 O6
• SMILES: Oc1c2cccc1OCCOCCOCCOc1cccc(C=NCCN=C2)c1O
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 12.148 ± 0.002 Å
• b: 8.251 ± 0.002 Å
• c: 21.69 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2174.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.509
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No