Information card for entry 2000886

Structure parameters

• Formula: C23 H28 O2
• Calculated formula: C23 H28 O2
• SMILES: C(=O)(O[C@@H]1C[C@H](CCC1)C(C)(C)C)c1ccc(cc1)c1ccccc1.C(=O)(O[C@H]1C[C@@H](CCC1)C(C)(C)C)c1ccc(cc1)c1ccccc1
• Title of publication: Bond length and reactivity. Structure of the 4-phenylbenzoate ester of <i>trans</i>-3-<i>tert</i>-butylcyclohexanol
• Authors of publication: Jones, P. G.; Kirby, A. J.; Parker, J. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 847 - 849
• a: 13.921 ± 0.002 Å
• b: 11.408 ± 0.003 Å
• c: 12.591 ± 0.003 Å
• α: 90°
• β: 100.61 ± 0.02°
• γ: 90°
• Cell volume: 1965.4 ± 0.8 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No