Information card for entry 2242227

Structure parameters

• Common name: 4-metacryloxyphenyl 4-<i>n</i>-hexyloxybenzoate
• Chemical name: 4-[(3-Methylbut-3-enoyl)oxy]phenyl 4-<i>n</i>-hexyloxybenzoate
• Formula: C23 H26 O5
• Calculated formula: C23 H26 O5
• SMILES: O=C(Oc1ccc(OC(=O)C(=C)C)cc1)c1ccc(OCCCCCC)cc1
• Title of publication: Crystal structure of 4-[(3-methylbut-3-enoyl)oxy]phenyl 4-<i>n</i>-hexyloxybenzoate
• Authors of publication: Kuz'mina, Lyudmila G.; Konstantinov, Ivan I.; Churakov, Andrei V.; Navasardyan, Mger A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 1052 - 1055
• a: 5.6805 ± 0.0003 Å
• b: 8.3846 ± 0.0005 Å
• c: 21.4864 ± 0.0012 Å
• α: 99.191 ± 0.001°
• β: 92.719 ± 0.001°
• γ: 91.701 ± 0.001°
• Cell volume: 1008.37 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0659
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes