Information card for entry 7237708

Structure parameters

• Chemical name: TXDM
• Formula: C54 H42 N2 O2 S2
• Calculated formula: C54 H42 N2 O2 S2
• Title of publication: A TADF compound with high-contrast mechano-responsive fluorescence on/off switching for both sequential and combinational logic gates
• Authors of publication: Mane, Sunil Kumar Baburao; Mu, Yingxiao; Yang, Zhiyong; Ubba, Eethamukkala; Shaishta, Naghma; Chi, Zhenguo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 3522
• a: 7.3052 ± 0.0005 Å
• b: 9.3988 ± 0.0006 Å
• c: 15.831 ± 0.0011 Å
• α: 88.905 ± 0.005°
• β: 80.763 ± 0.006°
• γ: 77.057 ± 0.005°
• Cell volume: 1045.45 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No