Information card for entry 7217841

Structure parameters

• Formula: C33 H25 N3 O2
• Calculated formula: C33 H25 N3 O2
• Title of publication: Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.
• Authors of publication: Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 22207 - 22221
• a: 20.1555 ± 0.0002 Å
• b: 9.6757 ± 0.0001 Å
• c: 25.46 ± 0.0003 Å
• α: 90°
• β: 100.668 ± 0.001°
• γ: 90°
• Cell volume: 4879.36 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No