Information card for entry 2230485

Structure parameters

• Common name: Hopeahainol C monohydrate
• Chemical name: 3,11-bis(4-hydroxyphenyl)-4,12- dioxapentacyclo[8.6.1.1^2,5^.0^13,17^.0^9,18^]octadeca- 1(16),2,5(18),6,8,10,13(17),14-octaene-7,15-diol monohydrate
• Formula: C28 H18 O7
• Calculated formula: C28 H18 O7
• SMILES: Oc1cc2oc(c3c2c(c1)c1c(oc2c1c3cc(c2)O)c1ccc(cc1)O)c1ccc(cc1)O.O
• Title of publication: Hopeahainol C monohydrate
• Authors of publication: Fun, Hoong-Kun; Sudto, Kanokorn; Ge, Hui-Ming; Tan, Ren-Xiang; Hannongbua, Supa; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1392 - o1393
• a: 21.225 ± 0.004 Å
• b: 3.85 ± 0.0007 Å
• c: 25.353 ± 0.005 Å
• α: 90°
• β: 108.933 ± 0.004°
• γ: 90°
• Cell volume: 1959.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.106
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes