Information card for entry 7127455

Structure parameters

• Formula: C19 H14 N2 O3
• Calculated formula: C19 H14 N2 O3
• Title of publication: Ambipolar pentacyclic diamides with interesting electrochemical and optoelectronic properties.
• Authors of publication: Marques, Carolina S.; Cruz, Hugo; Lawrence, Simon E.; Gago, Sandra; Prates Ramalho, João P; Morgado, Jorge; Branco, Luís C; Burke, Anthony J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 94
• Pages of publication: 14893 - 14896
• a: 7.5891 ± 0.0002 Å
• b: 10.1094 ± 0.0003 Å
• c: 20.3877 ± 0.0006 Å
• α: 95.642 ± 0.001°
• β: 97.677 ± 0.001°
• γ: 104.552 ± 0.001°
• Cell volume: 1486.17 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No