Information card for entry 1554244

Structure parameters

• Formula: C41 H33 N3 O2
• Calculated formula: C41 H33 N3 O2
• SMILES: c1(c(cc(cc1C)C)C)N1C(=O)c2c(C1=O)cc(c(c2)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
• Title of publication: 4,5-Diaminophthalimides: highly efficient solid-state fluorophores and turn-on type fluorescent probes for hydrazine
• Authors of publication: Shimizu, Masaki; Tamagawa, Tomokazu; Nishimura, Kenta
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 563
• a: 15.538 ± 0.004 Å
• b: 13.276 ± 0.004 Å
• c: 16.39 ± 0.005 Å
• α: 90°
• β: 101.907 ± 0.006°
• γ: 90°
• Cell volume: 3308.2 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0764
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No