Information card for entry 2242988

Structure parameters

• Common name: 4-(2-Methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol
• Chemical name: (1<i>R</i>,2<i>S</i>,4<i>r</i>)-4-(2-Methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol
• Formula: C24 H24 O3
• Calculated formula: C24 H24 O3
• SMILES: O[C@@]1([C@](O)(CC(C1)c1ccccc1OC)c1ccccc1)c1ccccc1.O[C@]1([C@@](O)(CC(C1)c1ccccc1OC)c1ccccc1)c1ccccc1
• Title of publication: (1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol and (1<i>R</i>,2<i>S</i>,4<i>r</i>)-4-(2-methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol: application as initiators for ring-opening polymerization of ε-caprolactone
• Authors of publication: Komarov, Pavel D.; Minyaev, Mikhail E.; Churakov, Andrei V.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 1035 - 1040
• a: 11.4136 ± 0.0006 Å
• b: 14.0145 ± 0.0007 Å
• c: 19.0339 ± 0.001 Å
• α: 92.3394 ± 0.0018°
• β: 101.546 ± 0.0017°
• γ: 105.013 ± 0.0019°
• Cell volume: 2867.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes