Information card for entry 7239955

Structure parameters

• Formula: C39 H32 N4 O
• Calculated formula: C39 H30 N2 O3
• SMILES: O=C1c2c(N(c3ccc(c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)c3c1cccc3)cccc2
• Title of publication: N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission
• Authors of publication: Liu, Renfei; Zhu, Guanxing; Zhang, Gang
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 7092 - 7098
• a: 9.8465 ± 0.0008 Å
• b: 12.7204 ± 0.001 Å
• c: 13.4275 ± 0.001 Å
• α: 69.672 ± 0.002°
• β: 71.642 ± 0.002°
• γ: 77.107 ± 0.002°
• Cell volume: 1484.5 ± 0.2 ų
• Cell temperature: 296.36 K
• Ambient diffraction temperature: 296.36 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: 0.1916
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No