Information card for entry 1558890

Structure parameters

• Formula: C34 H29 N3 O4
• Calculated formula: C34 H29 N3 O4
• SMILES: O=C1N(C(=O)c2ccc3c4ccc5C(=O)N(C(=O)c6cc7[nH]c8cc1c2c3c8c7c4c56)C(CC)CC)C(CC)CC
• Title of publication: Acid dyeing for green solvent processing of solvent resistant semiconducting organic thin films
• Authors of publication: Harding, Cayley R.; Cann, Jonathan; Laventure, Audrey; Sadeghianlemraski, Mozhgan; Abd-Ellah, Marwa; Rao, Keerthan R.; Gelfand, Benjamin Sidney; Aziz, Hany; Kaake, Loren; Risko, Chad; Welch, Gregory C.
• Journal of publication: Materials Horizons
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 2959 - 2969
• a: 18.2166 ± 0.0007 Å
• b: 18.5973 ± 0.001 Å
• c: 7.8095 ± 0.0002 Å
• α: 90°
• β: 97.881 ± 0.002°
• γ: 90°
• Cell volume: 2620.71 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0639
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No