Information card for entry 4114105

Structure parameters

• Formula: C38 H38 N4 O5
• Calculated formula: C38 H38 N4 O5
• SMILES: O=C1N2[C@@](O)(c3c1cccc3)CN(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)C2)Cc1ccccc1)C)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: 10.2589 ± 0.0013 Å
• b: 13.3262 ± 0.0012 Å
• c: 24.287 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3320.3 ± 0.7 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: 0.0497
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No