Information card for entry 7150003

Structure parameters

• Formula: C24 H33 N3 O7
• Calculated formula: C24 H33 N3 O7
• SMILES: O=C1NCC(=O)OCC=CCOC(=O)N[C@@H](C)C(=O)N([C@H]1C(C)C)[C@@H](C)c1cccc(OC)c1
• Title of publication: A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.
• Authors of publication: Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 136 - 145
• a: 10.967 ± 0.002 Å
• b: 14.024 ± 0.003 Å
• c: 16.422 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2525.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1221
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No