Information card for entry 8100217

Structure parameters

• Formula: C55 H55 Cl3 O15
• Calculated formula: C55 H55 Cl3 O15
• SMILES: O1[C@]2(Oc3c([C@@H]2O)c(OC)ccc3OC)CCc2ccccc12.O1[C@@]2(Oc3c([C@H]2O)c(OC)ccc3OC)CCc2ccccc12.ClC(Cl)Cl
• Title of publication: Crystal structure of 4,7-dimethoxy-3-hydroxyspiro[1-benzofuran-2,2'- chromane] chloroform solvate (1:1/3), C~18~H~18~O~5~ · 1/3CHCl~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: 492 - 494
• a: 18.98 ± 0.003 Å
• b: 12.345 ± 0.002 Å
• c: 21.746 ± 0.005 Å
• α: 90°
• β: 92.396 ± 0.016°
• γ: 90°
• Cell volume: 5090.8 ± 1.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No