Information card for entry 2242466

Structure parameters

• Common name: 4-(9-Methyloxycarbonylnonyloxy)phenylphenol
• Chemical name: Methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
• Formula: C23 H30 O4
• Calculated formula: C23 H30 O4
• SMILES: Oc1ccc(c2ccc(OCCCCCCCCCC(=O)OC)cc2)cc1
• Title of publication: An exploration of O—H···O and C—H···π interactions in a long-chain-ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
• Authors of publication: Geiger, David K.; Geiger, H. Cristina; Morell, Dominic L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 594 - 599
• a: 42.287 ± 0.009 Å
• b: 7.2848 ± 0.0015 Å
• c: 6.7006 ± 0.0013 Å
• α: 90°
• β: 91.226 ± 0.012°
• γ: 90°
• Cell volume: 2063.7 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes