Information card for entry 7105080

Structure parameters

• Formula: C36 H26 P2 S3
• Calculated formula: C36 H26 P2 S3
• SMILES: c1cc(c(c2ccc(c3c(ccs3)P(c3ccccc3)c3ccccc3)s2)s1)P(c1ccccc1)c1ccccc1
• Title of publication: Conjugated ligand-based tribochromic luminescence
• Authors of publication: Angela M. Kuchison; Michael O. Wolf; Brian O. Patrick
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7387 - 7389
• a: 9.3829 ± 0.0007 Å
• b: 11.5838 ± 0.0009 Å
• c: 14.4954 ± 0.0012 Å
• α: 89.673 ± 0.004°
• β: 72.855 ± 0.004°
• γ: 80.512 ± 0.004°
• Cell volume: 1483.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0945
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No