Information card for entry 7128750

Structure parameters

• Chemical name: tert-butyl(E)-11,13-dihydro-12H-dibenzo[c,h][1,2,6]triazonine-12-carboxylate
• Formula: C19 H21 N3 O2
• Calculated formula: C19 H21 N3 O2
• Title of publication: Triazonine-based bistable photoswitches: synthesis, characterization and photochromic properties.
• Authors of publication: Goual, Nawel; Casimiro, Lorenzo; Delattre, Vincent; Retailleau, Pascal; Maisonneuve, Stéphane; Bogliotti, Nicolas; Métivier, Rémi; Xie, Juan; Marinetti, Angela; Voituriez, Arnaud
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 78
• Pages of publication: 10079 - 10082
• a: 13.7733 ± 0.0004 Å
• b: 10.3424 ± 0.0003 Å
• c: 12.3133 ± 0.0004 Å
• α: 90°
• β: 91.874 ± 0.003°
• γ: 90°
• Cell volume: 1753.08 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No