Information card for entry 8100216

Structure parameters

• Formula: C21 H22 Cl6 O6
• Calculated formula: C21 H22 Cl6 O6
• SMILES: O1[C@@]2(Oc3c([C@H]2O)c(OC)ccc3OC)CCc2cccc(OC)c12.ClC(Cl)Cl.ClC(Cl)Cl.O1[C@]2(Oc3c([C@@H]2O)c(OC)ccc3OC)CCc2cccc(OC)c12.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Crystal structure of 4,7,8-trimethoxy-3-hydroxyspiro[1-benzofuran- 2,2'-chromane] chloroform disolvate, C~19~H~20~O~6~ · 2CHCl~3~
• Authors of publication: Azap, Cengiz; Luger, Peter; Reißig, H.-U.; Wagner, Armin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 495 - 496
• a: 8.717 ± 0.0017 Å
• b: 10.135 ± 0.002 Å
• c: 15.358 ± 0.003 Å
• α: 99.5 ± 0.03°
• β: 99.64 ± 0.03°
• γ: 107.38 ± 0.03°
• Cell volume: 1242.8 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No