Information card for entry 1555438

Structure parameters

• Formula: C44 H63 N5 O11
• Calculated formula: C44 H63 N5 O11
• SMILES: c1c(cc(cc1C(=O)N1CCC[C@]21CCCC[C@@H]2CC[C@H](OC(=O)c1cc(cc(N(=O)=O)c1)N(=O)=O)CCCCCC)N(=O)=O)N(=O)=O.C1CCCCC1.C1CCCCC1.c1c(cc(cc1C(=O)N1CCC[C@@]21CCCC[C@H]2CC[C@@H](OC(=O)c1cc(cc(N(=O)=O)c1)N(=O)=O)CCCCCC)N(=O)=O)N(=O)=O.C1CCCCC1.C1CCCCC1
• Title of publication: Synthesis of Lepadiformine Using a Hydroamination Transform.
• Authors of publication: Tabor, M. Greg; Shenvi, Ryan A.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 5776 - 5779
• a: 19.5349 ± 0.0019 Å
• b: 6.5541 ± 0.0007 Å
• c: 34.67 ± 0.004 Å
• α: 90°
• β: 95.943 ± 0.005°
• γ: 90°
• Cell volume: 4415.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No