Information card for entry 1545238

Structure parameters

• Formula: C38.625 H55 N2 O14.875
• Calculated formula: C38.625 H55 N2 O14.875
• SMILES: O=C1C2=C(N)C(=O)c3c4c(O[C@](OC=C[C@H](O)[C@H]([C@@H](OC(=O)C)[C@@H]([C@H](O)[C@@H]([C@@H](O)[C@H](C=CC=C(C)C(=O)N2)C)C)C)C)(C4=O)C)c(c(O)c13)C.OC.O.OC.CO
• Title of publication: Aminorifamycins and Sporalactams Produced in Culture by a Micromonospora sp. Isolated from a Northeastern-Pacific Marine Sediment Are Potent Antibiotics.
• Authors of publication: Williams, David E.; Dalisay, Doralyn S.; Chen, Jessie; Polishchuck, Elena A.; Patrick, Brian O.; Narula, Gagandeep; Ko, Mary; Av-Gay, Yossef; Li, Haoxin; Magarvey, Nathan; Andersen, Raymond J.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 766 - 769
• a: 16.515 ± 0.0006 Å
• b: 29.077 ± 0.001 Å
• c: 19.3491 ± 0.0007 Å
• α: 90°
• β: 110.59 ± 0.002°
• γ: 90°
• Cell volume: 8698 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No