Information card for entry 1515171

Structure parameters

• Formula: C24 H24 N4 O2 S2
• Calculated formula: C24 H24 N4 O2 S2
• SMILES: S([C@@]12N([C@H]3Nc4c([C@]3(C1)c1c[nH]c3c1cccc3)cccc4)C(=O)[C@H](SC)N(C2=O)C)C
• Title of publication: Concise Total Synthesis of (+)-Gliocladins B and C.
• Authors of publication: Boyer, Nicolas; Movassaghi, Mohammad
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1798 - 1803
• a: 8.5206 ± 0.0013 Å
• b: 13.968 ± 0.002 Å
• c: 18.439 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2194.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No