Information card for entry 7150655

Structure parameters

• Formula: C23 H23 N3 O3
• Calculated formula: C23 H23 N3 O3
• SMILES: [nH]1c2[C@@H](N3C(=O)N(C(=O)[C@H]3Cc2c2ccccc12)CCCC)c1cc(O)ccc1
• Title of publication: Synthesis and biological evaluation of functionalised tetrahydro-β-carboline analogues as inhibitors of Toxoplasma gondii invasion
• Authors of publication: Walton, Jeffrey G. A.; Patterson, Stephen; Liu, Gu; Haraldsen, Jeralyn D.; Hollick, Jonathan J.; Slawin, Alexandra M. Z.; Ward, Gary E.; Westwood, Nicholas J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 3049
• a: 7.9563 ± 0.0012 Å
• b: 8.4315 ± 0.0012 Å
• c: 28.798 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1931.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1368
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No