Information card for entry 7225847

Structure parameters

• Common name: ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid
• Chemical name: (E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid
• Formula: C33 H36 O9
• Calculated formula: C33 H36 O9
• Title of publication: Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid
• Authors of publication: Fernandes, M. A.; Levendis, D. C.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 7363
• a: 8.37 ± 0.003 Å
• b: 10.992 ± 0.004 Å
• c: 17.276 ± 0.006 Å
• α: 101.552 ± 0.005°
• β: 92.358 ± 0.006°
• γ: 107.262 ± 0.006°
• Cell volume: 1478.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1645
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No