Information card for entry 2008379

Structure parameters

• Chemical name: 1,13-Diaza-2,14-cyclotetraeicosanedione
• Formula: C22 H43 Cl N2 O2
• Calculated formula: C22 H43 Cl N2 O2
• SMILES: [Cl-].[OH+]=C1NCCCCCCCCCCC(=[O])NCCCCCCCCCC1
• Title of publication: Amino-11-undecanoic acid cyclic dimer hydrochloride
• Authors of publication: Escudero, Encarnacion; Subirana, José A.; Solans, Xavier
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 644 - 646
• a: 14.627 ± 0.003 Å
• b: 15.834 ± 0.004 Å
• c: 43.135 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9990 ± 4 ų
• Cell temperature: 203 ± 1 K
• Ambient diffraction temperature: 203 ± 1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.2026
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes