Information card for entry 4519421

Structure parameters

• Chemical name: (2E,6E)-2,6-bis[4-(dimethylamino)benzylidene]cyclohexanone
• Formula: C24 H28 N2 O
• Calculated formula: C24 H28 N2 O
• 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: 21.798 ± 0.003 Å
• b: 8.9774 ± 0.0016 Å
• c: 9.6932 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1896.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No