Information card for entry 4024743

Structure parameters

• Formula: C34 H46 N8 O2
• Calculated formula: C34 H46 N8 O2
• SMILES: C12N(C(=O)[C@]3(N1N(CCC3)CCC)[C@]13C(N4C(N1N(CCC3)CCC)=NCc1c(C4)cccc1)=O)Cc1c(cccc1)CN=2.C12N(C(=O)[C@@]3(N1N(CCC3)CCC)[C@@]13C(N4C(N1N(CCC3)CCC)=NCc1c(C4)cccc1)=O)Cc1c(cccc1)CN=2
• Title of publication: Exploring Symmetry-Based Logic for a Synthesis of Palau'amine
• Authors of publication: Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5909 - 5919
• a: 12.199 ± 0.003 Å
• b: 11.393 ± 0.005 Å
• c: 21.935 ± 0.005 Å
• α: 90°
• β: 90.77 ± 0.03°
• γ: 90°
• Cell volume: 3048.3 ± 1.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2071
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No