Information card for entry 7244103

Structure parameters

• Formula: C27 H22 N4 O2
• Calculated formula: C27 H22 N4 O2
• Title of publication: Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.
• Authors of publication: Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 2
• Pages of publication: 1191 - 1201
• a: 9.1477 ± 0.0009 Å
• b: 10.3739 ± 0.0008 Å
• c: 25.486 ± 0.003 Å
• α: 89.281 ± 0.005°
• β: 79.975 ± 0.006°
• γ: 67.01 ± 0.005°
• Cell volume: 2188.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.2545
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.2999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No