Information card for entry 1557143

Structure parameters

• Formula: C23 H24 N O4 P
• Calculated formula: C23 H24 N O4 P
• SMILES: c1ccc2ccc3c4c2c1ccc4ccc3C(=O)NC(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: 14.1914 ± 0.0005 Å
• b: 9.0659 ± 0.0003 Å
• c: 16.0033 ± 0.0005 Å
• α: 90°
• β: 101.488 ± 0.002°
• γ: 90°
• Cell volume: 2017.7 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No