Information card for entry 1542555

Structure parameters

• Formula: C69 H62.5 Cl6 I6 N12 Zn3
• Calculated formula: C69 H62.5 Cl6 I6 N12 Zn3
• Title of publication: Structure determination of microbial metabolites by the crystalline sponge method
• Authors of publication: Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3910
• a: 35.7365 ± 0.0013 Å
• b: 15.061 ± 0.0005 Å
• c: 30.9345 ± 0.0011 Å
• α: 90°
• β: 104.141 ± 0.007°
• γ: 90°
• Cell volume: 16145.3 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2382
• Weighted residual factors for all reflections included in the refinement: 0.2736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No