Information card for entry 7152033

Structure parameters

• Common name: (S)-cyclo(N-cyclohexyloxy-2-((beta-pyridyl) methylene)glycyl- prolyl
• Chemical name: (S)-cyclo[N-cyclohexyloxy-2-[(β-pyridyl) methylene]glycyl-prolyl
• Formula: C19 H23 N3 O3
• Calculated formula: C19 H23 N3 O3
• SMILES: O=C1N2CCC[C@H]2C(=O)N(OC2CCCCC2)/C1=C/c1cccnc1
• 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: 9.7941 ± 0.0014 Å
• b: 10.3009 ± 0.0015 Å
• c: 17.223 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1737.6 ± 0.4 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: 0.0458
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No