Information card for entry 7150002

Structure parameters

• Formula: C26 H35 N3 O7
• Calculated formula: C26 H35 N3 O7
• SMILES: N1(C(=O)[C@H]2N(CCC2)C(=O)OCC=CCOC(=O)CNC(=O)[C@@H]1C(C)C)[C@@H](C)c1cccc(c1)OC
• 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: 10.131 ± 0.002 Å
• b: 20.904 ± 0.004 Å
• c: 12.459 ± 0.002 Å
• α: 90°
• β: 92.53 ± 0.03°
• γ: 90°
• Cell volume: 2636 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No