Information card for entry 2233243

Structure parameters

• Chemical name: 10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one
• Formula: C19 H29 N O6
• Calculated formula: C19 H29 N O6
• SMILES: [C@H]12[C@H]3[C@@](CC[C@H]4[C@@]([C@H](C[C@@H]1[C@H](C(=O)O2)CN1CCOCC1)O)(C)O4)(C)O3
• Title of publication: 10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one
• Authors of publication: Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Mellouki, Fouad; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o167 - o168
• a: 11.6772 ± 0.0009 Å
• b: 6.9524 ± 0.0004 Å
• c: 11.8244 ± 0.0009 Å
• α: 90°
• β: 102.16 ± 0.002°
• γ: 90°
• Cell volume: 938.42 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes