Information card for entry 2012894

Structure parameters

• Formula: C13 H22 O3
• Calculated formula: C13 H22 O3
• SMILES: [C@@]123[C@@H](CC[C@H]([C@@]1(C([C@H](CC2)C3)(C)C)O)O)O.[C@]123[C@H](CC[C@@H]([C@]1(C([C@@H](CC2)C3)(C)C)O)O)O
• Title of publication: (1SR,2RS,5RS,6SR,8RS)-7,7-dimethyltricyclo[6.2.1.0^1,6^]undecane-2,5,6-triol: a supramolecular framework built from O-H...O hydrogen bonds
• Authors of publication: Mondal, Swastik; Mukherjee, Monika; Roy, Arnab; Mukherjee, Debabrata; Helliwell, Madeleine
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2002
• Journal volume: 58
• Pages of publication: o474 - o476
• a: 9.812 ± 0.002 Å
• b: 11.141 ± 0.001 Å
• c: 11.443 ± 0.002 Å
• α: 82.47 ± 0.01°
• β: 77.56 ± 0.01°
• γ: 89.46 ± 0.01°
• Cell volume: 1210.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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