Information card for entry 2227467

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[(8-<i>endo</i>,11-<i>endo</i>- Dihydroxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11- diyl)bis(methylenecarbonyl)]di-L-phenylalanine
• Formula: C33 H36 N2 O8
• Calculated formula: C33 H36 N2 O8
• SMILES: O[C@]1([C@@H]2[C@H]3C[C@H]4[C@@H]2[C@@](O)([C@H]2[C@@H]1[C@@H]3[C@@H]42)CC(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(=O)N[C@H](C(=O)O)Cc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-[(8-<i>endo</i>,11-<i>endo</i>-Dihydroxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-diyl)bis(methylenecarbonyl)]di-<small>L</small>-phenylalanine
• Authors of publication: Karpoormath, Rajshekhar; Govender, Patrick; Kruger, Hendrik G.; Govender, Thavendran; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2537 - o2538
• a: 10.623 ± 0.0005 Å
• b: 14.7773 ± 0.0006 Å
• c: 18.2819 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2869.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54199 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes