Information card for entry 1507929

Structure parameters

• Chemical name: 3-(p-hydroxyphenyl)-7-thiomethyl-1-oxaazulan-2-one
• Formula: C33 H26 Cl2 O6 S2
• Calculated formula: C33 H26 Cl2 O6 S2
• Title of publication: The Jekyll-and-Hyde chemistry of Phaeobacter gallaeciensis.
• Authors of publication: Seyedsayamdost, Mohammad R.; Case, Rebecca J.; Kolter, Roberto; Clardy, Jon
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 331 - 335
• a: 14.755 ± 0.003 Å
• b: 14.831 ± 0.003 Å
• c: 7.1877 ± 0.0016 Å
• α: 90°
• β: 95.469 ± 0.004°
• γ: 90°
• Cell volume: 1565.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2151
• 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: Yes
• Has Fobs: No