Information card for entry 7217842

Structure parameters

• Formula: C32 H24 N4 O
• Calculated formula: C32 H24 N4 O
• SMILES: O(c1c(c2[nH]c(N=c3nc(cc3c3ccccc3)c3ncccc3)c(c2)c2ccccc2)cccc1)C
• 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: 11.3385 ± 0.0006 Å
• b: 13.9762 ± 0.0007 Å
• c: 15.3735 ± 0.0008 Å
• α: 90°
• β: 97.732 ± 0.002°
• γ: 90°
• Cell volume: 2414.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.039
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No