Information card for entry 1515992

Structure parameters

• Formula: C46 H52 N4 O18
• Calculated formula: C46 H52 N4 O18
• SMILES: C/C1=C\C[C@H](O)c2cc(O)cc3c2[C@@](Nc2ccccc2C(=O)O)(C(=O)/C=C/C(=C/C[C@@H](c2c4[C@](C(=O)\C=C1)(Nc1ccccc1C(=O)O)C(=O)Nc4cc(c2)O)O)C)C(=O)N3.O.O.O.O.O.O
• Title of publication: Juanlimycins A and B, Ansamycin Macrodilactams from Streptomyces sp.
• Authors of publication: Zhang, Juanli; Qian, Zhengyi; Wu, Xingkang; Ding, Yanjiao; Li, Jianfang; Lu, Chunhua; Shen, Yuemao
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 2752 - 2755
• a: 19.5118 ± 0.0004 Å
• b: 19.5118 ± 0.0004 Å
• c: 12.0531 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3973.97 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 172
• Hermann-Mauguin space group symbol: P 64
• Hall space group symbol: P 64
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No