Information card for entry 2238236

Structure parameters

• Chemical name: (1<i>R</i>*,21<i>S</i>*,22<i>R</i>*,24<i>S</i>*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate
• Formula: C40 H41 N O8
• Calculated formula: C40 H41 N O8
• Title of publication: (1<i>R</i>*,21<i>S</i>*,22<i>R</i>*,24<i>S</i>*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate
• Authors of publication: Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Gorchakova, Olga S.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1023 - o1024
• a: 11.6594 ± 0.0004 Å
• b: 19.3088 ± 0.0006 Å
• c: 15.8522 ± 0.0005 Å
• α: 90°
• β: 108.887 ± 0.001°
• γ: 90°
• Cell volume: 3376.64 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes