Information card for entry 1100571

Structure parameters

• Formula: C22 H39 O6.5
• Calculated formula: C22 H39 O6.5
• SMILES: C1[C@H](CO)[C@@H](CO)C[C@@H]2[C@H]1C[C@H]1C[C@H]3[C@H](C[C@H]1C2)O[C@@]([C@@](C)(O3)OC)(C)OC.C1[C@@H](CO)[C@H](CO)C[C@@H]2[C@H]1C[C@H]1C[C@@H]3[C@@H](C[C@H]1C2)O[C@]([C@](C)(O3)OC)(C)OC.C1[C@H](CO)[C@@H](CO)C[C@H]2[C@@H]1C[C@@H]1C[C@H]3[C@H](C[C@@H]1C2)O[C@@]([C@@](C)(O3)OC)(C)OC.C1[C@@H](CO)[C@H](CO)C[C@H]2[C@@H]1C[C@@H]1C[C@@H]3[C@@H](C[C@@H]1C2)O[C@]([C@](C)(O3)OC)(C)OC.O.O
• Title of publication: 2,3,6,7-Tetrasubstituted Perhydroanthracenes: Stereoselective Synthesis and Biconformationality Studies
• Authors of publication: Berninger, Jörn; Krauss, Rolf; Weinig, Hans-Georg; Koert, Ulrich; Ziemer, Burkhard; Harms, Klaus
• Journal of publication: European Journal of Organic Chemistry
• Year of publication: 1999
• Journal volume: 1999
• Journal issue: 4
• Pages of publication: 875 - 884
• a: 10.892 ± 0.003 Å
• b: 14.457 ± 0.004 Å
• c: 29.015 ± 0.008 Å
• α: 100.29 ± 0.03°
• β: 96.06 ± 0.03°
• γ: 90.11 ± 0.03°
• Cell volume: 4469.25 ų
• Number of distinct elements: 3
• 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