Information card for entry 1548496

Structure parameters

• Formula: C25 H24 N2 O5 S
• Calculated formula: C25 H24 N2 O5 S
• SMILES: S(=O)(=O)(N/N=C/1c2c(OC)cc(cc2C(=O)c2c1c(OC)cc(c2)C)C)c1ccc(cc1)C
• Title of publication: Total synthesis of clostrubin
• Authors of publication: Ming Yang; Jian Li; Ang Li
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 6445
• a: 8.4096 ± 0.0006 Å
• b: 15.0102 ± 0.0012 Å
• c: 18.0794 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2282.2 ± 0.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No