Information card for entry 4519419

Structure parameters

• Formula: C24 H26 O5
• Calculated formula: C24 H26 O5
• Title of publication: Structure–Property Relationships of Dibenzylidenecyclohexanones
• Authors of publication: Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.
• Journal of publication: ACS Omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 10087 - 10099
• a: 8.6522 ± 0.0008 Å
• b: 32.232 ± 0.003 Å
• c: 14.3606 ± 0.0013 Å
• α: 90°
• β: 97.169 ± 0.002°
• γ: 90°
• Cell volume: 3973.5 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1212
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No