Information card for entry 7203135

Structure parameters

• Formula: C52 H36 Cl4 N4 O S2
• Calculated formula: C52 H36 Cl4 N4 O S2
• SMILES: C(Cl)Cl.c1(nnc(o1)c1sc(cc1)C#Cc1ccc(cc1)N(c1ccccc1)c1ccccc1)c1sc(cc1)C#Cc1ccc(cc1)N(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Synthesis and characterization of new fluorescent two-photon absorption chromophores
• Authors of publication: Huang, Ping-Hsin; Shen, Jiun-Yi; Pu, Shin-Chien; Wen, Yuh-Sheng; Lin, Jiann T.; Chou, Pi-Tai; Yeh, Ming-Chang P.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 850
• a: 9.9509 ± 0.0002 Å
• b: 25.1959 ± 0.0005 Å
• c: 9.0316 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2264.42 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No