Information card for entry 8000507

Structure parameters

• Chemical name: TMPD-PMDA
• Formula: C20 H18 N2 O6
• Calculated formula: C20 H18 N2 O6
• Title of publication: Unprecedented Improvement of Near-Infrared Photothermal Conversion Efficiency to 87.2% by Ultrafast Non-radiative Decay of Excited States of Self-Assembly Cocrystal.
• Authors of publication: Chen, Wenbin; Sun, Shanshan; Huang, Guanheng; Ni, Shaofei; Xu, Liang; Dang, Li; Phillips, David Lee; Li, Ming-De
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 24
• Pages of publication: 5796 - 5801
• a: 7.2332 ± 0.0004 Å
• b: 7.8762 ± 0.0004 Å
• c: 8.0903 ± 0.0004 Å
• α: 76.673 ± 0.004°
• β: 83.598 ± 0.004°
• γ: 88.515 ± 0.004°
• Cell volume: 445.7 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No