Information card for entry 4033032

Structure parameters

• Formula: C26 H23 N O
• Calculated formula: C26 H23 N O
• Title of publication: Reversible Redox Switching of Chromophoric Phenylmethylenepyrans by Carbon-Carbon Bond Making/Breaking.
• Authors of publication: Wojcik, Laurianne; Michaud, François; Gauthier, Sébastien; Cabon, Nolwenn; Le Poul, Pascal; Gloaguen, Frederic; Le Poul, Nicolas
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 23
• Pages of publication: 12395 - 12405
• a: 31.771 ± 0.002 Å
• b: 7.3683 ± 0.0006 Å
• c: 16.5063 ± 0.0011 Å
• α: 90°
• β: 100.174 ± 0.006°
• γ: 90°
• Cell volume: 3803.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No