Information card for entry 7212318

Structure parameters

• Formula: C28 H23 N O3 S
• Calculated formula: C28 H23 N O3 S
• SMILES: c1(ccc2c3c4c(ccc13)cccc4cc2)S(=O)(=O)[O-].c1c(ccc2ccccc12)[C@@H](C)[NH3+]
• Title of publication: Control of solid-state chiral optical properties of a chiral supramolecular organic fluorophore consisting of 1-pyrenesulfonic acid and chiral amine molecules
• Authors of publication: Imai, Yoshitane; Murata, Katuzo; Nakano, Yoko; Harada, Takunori; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1688
• a: 20.575 ± 0.002 Å
• b: 5.5363 ± 0.0005 Å
• c: 18.7917 ± 0.0019 Å
• α: 90°
• β: 91.676 ± 0.002°
• γ: 90°
• Cell volume: 2139.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No