Information card for entry 2239307

Structure parameters

• Chemical name: (±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione methanol disolvate
• Formula: C26 H22 O11
• Calculated formula: C26 H22 O11
• SMILES: c1(c2c(cc3c1O[C@]1(c4ccccc4C(=O)[C@@]31O)O)[C@]1([C@](c3ccccc3C1=O)(O2)O)O)O.CO.CO.c1(c2c(cc3c1O[C@@]1(c4ccccc4C(=O)[C@]31O)O)[C@@]1([C@@](c3ccccc3C1=O)(O2)O)O)O.CO.CO
• Title of publication: (±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione methanol disolvate
• Authors of publication: Gil, Maayan; Almog, Joseph; Dubnikova, Faina; Bogoslavski, Benny; Cohen, Shmuel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o506
• a: 8.8243 ± 0.0013 Å
• b: 10.3974 ± 0.0016 Å
• c: 14.348 ± 0.002 Å
• α: 72.936 ± 0.003°
• β: 74.639 ± 0.002°
• γ: 75.792 ± 0.003°
• Cell volume: 1193.3 ± 0.3 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes