Information card for entry 2213561

Structure parameters

• Common name: 8-[(7,10-dihydroxy-1,3,6,6-tetramethyl-9-oxo-3,4,6,9-tetrahydro-1H- benzo[g]isochromen-8-yl)methyl]-7,10-dihydroxy-1,3,6,6-tetramethyl-1,3,4,6- tetrahydro-9H-benzo[g]isochromen-9-one
• Chemical name: 8,8'-Methylenebis(7,10-dihydroxy-1,3,6,6-tetramethyl-3,4-dihydro-1H- benzo[g]isochromen-9-one)
• Formula: C35 H40 O8
• Calculated formula: C35 H40 O8
• SMILES: C[C@H]1O[C@@H](C)c2c(C1)cc1c(c2O)C(=O)C(=C(C1(C)C)O)CC1=C(O)C(c2c(C1=O)c(O)c1[C@H](C)O[C@@H](Cc1c2)C)(C)C
• Title of publication: 8,8'-Methylenebis(7,10-dihydroxy-1,3,6,6-tetramethyl-3,4-dihydro-1<i>H</i>-benzo[<i>g</i>]isochromen-9-one)
• Authors of publication: Hoong-Kun Fun; Nawong Boonnak; Suchada Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2317 - o2318
• a: 8.4385 ± 0.0011 Å
• b: 8.4385 ± 0.0011 Å
• c: 42.901 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3054.9 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes