Information card for entry 2021800

Structure parameters

• Chemical name: 2,6-Bis[4-(diethylamino)benzylidene]cyclohexanone
• Formula: C28 H36 N2 O
• Calculated formula: C28 H36 N2 O
• Title of publication: Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores
• Authors of publication: Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• a: 11.224 ± 0.008 Å
• b: 13.874 ± 0.01 Å
• c: 16.93 ± 0.012 Å
• α: 87.69 ± 0.02°
• β: 77.11 ± 0.016°
• γ: 67.445 ± 0.014°
• Cell volume: 2370 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes