Information card for entry 2000437

Structure parameters

• Formula: C54 H95 N9 O17
• Calculated formula: C54 N9 O18
• SMILES: CCCCCCC[C@@H](CC(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](C)OC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CC(C)C)NC([C@@H](NC([C@@H](NC([C@@H](NC1=O)C(C)C)=O)CC(C)C)=O)CO)=O)[C@@H](CC)C)=O)CCC(=O)O)=O)CC(C)C)=O)O.O
• Title of publication: Structure of the white-line-inducing principle isolated from <i>Pseudomonas reactans</i>
• Authors of publication: Han, F.; Mortishire-Smith, R. J.; Rainey, P. B.; Williams, D. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 1965 - 1968
• a: 14.23 ± 0.001 Å
• b: 24.37 ± 0.005 Å
• c: 18.78 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6512.6 ± 1.6 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No