Information card for entry 1549498

Structure parameters

• Chemical name: ONdP(GC)
• Formula: C37 H28 N O P
• Calculated formula: C37 H28 N O P
• SMILES: P(c1ccc(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.
• Authors of publication: Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5787 - 5794
• a: 23.584 ± 0.004 Å
• b: 6.0025 ± 0.0007 Å
• c: 21.526 ± 0.003 Å
• α: 90°
• β: 102.573 ± 0.014°
• γ: 90°
• Cell volume: 2974.2 ± 0.8 ų
• Cell temperature: 272 ± 4 K
• Ambient diffraction temperature: 272 ± 4 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2447
• Weighted residual factors for all reflections included in the refinement: 0.2916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No