Information card for entry 4508208

Structure parameters

• Formula: C33 H26 N2 O2
• Calculated formula: C33 H26 N2 O2
• SMILES: c12cccc3c1c1c(cc3)c(ccc1cc2)C1N(N=C(C1)c1ccccc1)C(=O)C.Oc1ccccc1
• Title of publication: Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation
• Authors of publication: Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4418
• a: 28.067 ± 0.006 Å
• b: 9.837 ± 0.002 Å
• c: 9.145 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2524.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1447
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No