Information card for entry 2229986

Structure parameters

• Chemical name: <i>rac</i>-12,14-Dicyclopropyl-5,8,13,18,21- pentaoxapentacyclo[13.8.0.0^2,11^.0^4,9^.0^17,22^]tricosa- 1(15),2(11),3,9(10),16,22(23)-hexaene
• Formula: C24 H24 O5
• Calculated formula: C24 H24 O5
• SMILES: C1COc2c(O1)cc1c(c2)[C@H](O[C@@H](c2c1cc1OCCOc1c2)C1CC1)C1CC1.C1COc2c(O1)cc1c(c2)[C@@H](O[C@H](c2c1cc1OCCOc1c2)C1CC1)C1CC1
• Title of publication: <i>rac</i>-12,14-Dicyclopropyl-5,8,13,18,21-pentaoxapentacyclo[13.8.0.0^2,11^.0^4,9^.0^17,22^]tricosa-1(15),2(11),3,9(10),16,22(23)-hexaene
• Authors of publication: Tafeenko, Viktor A.; Aslanov, Leonid A.; Puretskiy, Nikolay A.; Fedotov, Aleksander N.; Mochalov, Sergei S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1180
• a: 14.325 ± 0.002 Å
• b: 7.393 ± 0.002 Å
• c: 19.726 ± 0.0012 Å
• α: 90°
• β: 109.42 ± 0.02°
• γ: 90°
• Cell volume: 1970.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1371
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes