Information card for entry 7202030

Structure parameters

• Chemical name: (2E,2'E)-2,2'-(2,2'-(ethane-1,2-diylbis(oxy))bis(2,1-phenylene))- bis(methan-1-yl-1-ylidene)dicyclohexanone
• Formula: C28 H30 O4
• Calculated formula: C28 H30 O4
• SMILES: C(=C1\C(=O)CCCC1)/c1c(OCCOc2c(/C=C\3C(=O)CCCC3)cccc2)cccc1
• Title of publication: Platform technology for dienone and phenol‒formaldehyde architectures
• Authors of publication: Giarrusso, Marilena A.; Higham, Luke T.; Kreher, Ulf P.; Mohan, Ram S.; Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: Green Chemistry
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 842
• a: 14.1051 ± 0.0005 Å
• b: 5.984 ± 0.0002 Å
• c: 14.3719 ± 0.0006 Å
• α: 90°
• β: 114.297 ± 0.002°
• γ: 90°
• Cell volume: 1105.61 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• 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
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No