Information card for entry 1557144

Structure parameters

• Formula: C25 H28 N O4 P
• Calculated formula: C25 H28 N O4 P
• SMILES: c1ccc2ccc3c4c2c1ccc4ccc3C(=O)NC(C(C)C)P(=O)(OCC)OCC
• Title of publication: Mechanofluorochromism of pyrene-derived amidophosphonates.
• Authors of publication: Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2020
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 229 - 234
• a: 26.8408 ± 0.0013 Å
• b: 9.9974 ± 0.0005 Å
• c: 17.4578 ± 0.0008 Å
• α: 90°
• β: 110.506 ± 0.001°
• γ: 90°
• Cell volume: 4387.8 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No