Information card for entry 7131391

Structure parameters

• Formula: C24.25 H19 N4 O1.25
• Calculated formula: C24.25 H19 N4 O1.25
• Title of publication: A convenient route to a vinylogous dicyano aryl based AIEgen with switchable mechanochromic luminescence properties.
• Authors of publication: Ghosh, Saurajit; Bhambri, Himanshi; Singh, Ajeet Kumar; Mandal, Sanjay K.; Roy, Lisa; Addy, Partha Sarathi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 30
• Pages of publication: 4463 - 4466
• a: 9.954 ± 0.0015 Å
• b: 27.051 ± 0.004 Å
• c: 7.6877 ± 0.0012 Å
• α: 90°
• β: 95.868 ± 0.006°
• γ: 90°
• Cell volume: 2059.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No