Information card for entry 1574817

Structure parameters

• Formula: C25 H20 N2 O
• Calculated formula: C25 H20 N2 O
• SMILES: O=C1N(c2c3c1cccc3c(N(c1ccccc1)c1ccccc1)cc2)CC
• Title of publication: Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.
• Authors of publication: Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 13345 - 13351
• a: 11.358 ± 0.0002 Å
• b: 12.5546 ± 0.0002 Å
• c: 14.4385 ± 0.0003 Å
• α: 104.294 ± 0.001°
• β: 104.552 ± 0.002°
• γ: 97.394 ± 0.001°
• Cell volume: 1890.77 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.054
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No