Information card for entry 2000884

Structure parameters

• Formula: C23 H28 O2
• Calculated formula: C23 H28 O2
• SMILES: C(=O)(OC1CCC(CC1)C(C)(C)C)c1ccc(cc1)c1ccccc1
• Title of publication: Bond length and reactivity. Structures of the 4-phenylbenzoate esters of <i>cis</i>- and <i>trans</i>-4-<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: 844 - 847
• a: 6.376 ± 0.002 Å
• b: 14.317 ± 0.007 Å
• c: 21.792 ± 0.008 Å
• α: 90°
• β: 92.64 ± 0.03°
• γ: 90°
• Cell volume: 1987.2 ± 1.4 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No