Information card for entry 7152032

Structure parameters

• Common name: racemic cyclo(2-hydroxy-2-((3,4,5- trimethyloxy)phenylmethyl)glycyl-prolyl
• Chemical name: racemic cyclo[2-hydroxy-2-[(3,4,5-trimethyloxy)phenylmethyl]glycyl-prolyl
• Formula: C17 H22 N2 O6
• Calculated formula: C17 H22 N2 O6
• SMILES: O(c1cc(cc(OC)c1OC)C[C@@]1(O)NC(=O)[C@@H]2N(C1=O)CCC2)C.O(c1cc(cc(OC)c1OC)C[C@]1(O)NC(=O)[C@H]2N(C1=O)CCC2)C
• Title of publication: Stereoselective synthesis and rearrangement-fragmentation of arylidene N-alkoxydiketopiperazines.
• Authors of publication: Liu, Shouxin; Mu, Yun; Han, Jianrong; Zhen, Xiaoli; Yang, Yihua; Tian, Xia; Whiting, Andrew
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 7476 - 7481
• a: 7.525 ± 0.003 Å
• b: 10.852 ± 0.004 Å
• c: 11.633 ± 0.004 Å
• α: 103.951 ± 0.006°
• β: 105.568 ± 0.007°
• γ: 99.03 ± 0.006°
• Cell volume: 862.8 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No