Information card for entry 2232241

Structure parameters

• Chemical name: 10α-Hydroxy-4,9-dimethyl-13-(pipyridin-1-ylmethyl)-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one
• Formula: C20 H31 N O5
• Calculated formula: C20 H31 N O5
• SMILES: [C@H]12[C@H]3[C@@](CC[C@H]4[C@@]([C@H](C[C@@H]1[C@H](C(=O)O2)CN1CCCCC1)O)(C)O4)(C)O3
• Title of publication: 10α-Hydroxy-4,9-dimethyl-13-(pipyridin-1-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one
• Authors of publication: Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Elhakmaoui, Ahmed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3003 - o3004
• a: 8.0899 ± 0.0005 Å
• b: 10.7562 ± 0.0006 Å
• c: 22.5093 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1958.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes