Information card for entry 8102718

Structure parameters

• Formula: C26 H24 O10 S
• Calculated formula: C26 H24 O10 S
• SMILES: c1c2c(cc(c1OC)OC)OC[C@@H]1[C@]2(C(=O)c2c(cc(cc2OS(=O)(=O)c2ccc(cc2)C)OC)O1)O
• Title of publication: Crystal structure of 12a-hydroxy-2,3,9-trimethoxy-12-oxo-6,6a,12,12a-tetrahydrochromeno[3,4-b]chromen-11-yl 4-methylbenzenesulfonate, C26H24O10S
• Authors of publication: Pitiporn Chimsook; Thapong Teerawatananond; Nattaya Ngamrojanavanich; Nongnuj Muangsin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 374
• a: 8.4239 ± 0.0004 Å
• b: 16.9458 ± 0.0006 Å
• c: 8.8568 ± 0.0004 Å
• α: 90°
• β: 105.48 ± 0.001°
• γ: 90°
• Cell volume: 1218.44 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No