Information card for entry 2237432

Structure parameters

• Common name: 3,3'-dideoxy-myxochelin A
• Chemical name: (<i>S</i>)-2,2'-Dihydroxy-<i>N</i>,<i>N</i>'-(6-hydroxyhexane- 1,5-diyl)dibenzamide
• Formula: C20 H24 N2 O5
• Calculated formula: C20 H24 N2 O5
• SMILES: c1(ccccc1O)C(=O)NCCCC[C@@H](CO)NC(=O)c1ccccc1O
• Title of publication: (<i>S</i>)-2,2'-Dihydroxy-<i>N</i>,<i>N</i>'-(6-hydroxyhexane-1,5-diyl)dibenzamide
• Authors of publication: Wilbrand, Sabine; Neis, Christian; Hegetschweiler, Kaspar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o223
• a: 9.5934 ± 0.0007 Å
• b: 9.2266 ± 0.0007 Å
• c: 10.3565 ± 0.0007 Å
• α: 90°
• β: 96.172 ± 0.004°
• γ: 90°
• Cell volume: 911.39 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes