Information card for entry 7152463

Structure parameters

• Formula: C24 H21 N3 O5 S
• Calculated formula: C24 H21 N3 O5 S
• SMILES: S(=O)(=O)(N1CC=C(NC(=O)[C@@H]1Cc1ccccc1)c1ccccc1)c1ccc(N(=O)=O)cc1
• Title of publication: Platinum catalyzed 7-endo cyclization of internal alkynyl amides and its application to synthesis of the caprazamycin core.
• Authors of publication: Tsukano, Chihiro; Yokouchi, Shinsuke; Girard, Anne-Lise; Kuribayashi, Toshifumi; Sakamoto, Shota; Enomoto, Taro; Takemoto, Yoshiji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 6074 - 6086
• a: 6.95676 ± 0.00013 Å
• b: 12.7545 ± 0.0003 Å
• c: 24.6435 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2186.62 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.829
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No