Information card for entry 1506502

Structure parameters

• Formula: C43 H47 N7 O10 S
• Calculated formula: C43 H47 N7 O10 S
• SMILES: S(=O)(=O)(N1[C@@H]2[C@]3(O[C@@]45N(C3=O)CCC[C@@]4(C(=O)N([C@@H]([C@@]25c2ccccc12)C(=O)NC(C)(C)C)Cc1ccc(OC)cc1)C)C(=O)C)c1c(N(=O)=O)cccc1.CC#N.CC#N.S(=O)(=O)(N1[C@H]2[C@@]3(O[C@]45N(C3=O)CCC[C@]4(C(=O)N([C@H]([C@]25c2ccccc12)C(=O)NC(C)(C)C)Cc1ccc(OC)cc1)C)C(=O)C)c1c(N(=O)=O)cccc1.CC#N.CC#N
• Title of publication: Skeletal diversity via a folding pathway: synthesis of indole alkaloid-like skeletons.
• Authors of publication: Oguri, Hiroki; Schreiber, Stuart L.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 47 - 50
• a: 15.165 ± 0.003 Å
• b: 11.97 ± 0.003 Å
• c: 22.819 ± 0.005 Å
• α: 90°
• β: 92.248 ± 0.005°
• γ: 90°
• Cell volume: 4139 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No