Information card for entry 2011579

Structure parameters

• Chemical name: 4,17,20-trimethoxy-2,15-dioxapentacyclo[26.2.2.1^3,7^.0^16,21^]triaconta- 1(28),3,5,7(29),10,12,14(30),16,18,20,24927),25-dodecaene
• Formula: C31 H30 O5
• Calculated formula: C31 H30 O5
• Title of publication: Marchantin M trimethyl ether
• Authors of publication: Mombrú, Alvaro W.; Suescun, Leopoldo; Pandolfi, Enrique; Seoane, Gustavo; López, Gloria; Mariezcurrena, Raúl
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1374 - 1376
• a: 14.937 ± 0.003 Å
• b: 9.316 ± 0.005 Å
• c: 18.262 ± 0.002 Å
• α: 90°
• β: 98.877 ± 0.012°
• γ: 90°
• Cell volume: 2510.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1593
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No