Information card for entry 4114106

Structure parameters

• Formula: C28 H27 N3 O4
• Calculated formula: C28 H27 N3 O4
• SMILES: O=C1N2[C@](O)(c3c1cccc3)CN(C(=O)[C@@H](N(C(=O)C2)Cc1ccccc1)C)Cc1ccccc1
• Title of publication: A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes
• Authors of publication: Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10664 - 10671
• a: 10.8635 ± 0.0012 Å
• b: 13.9599 ± 0.0017 Å
• c: 15.9849 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2424.2 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No