Information card for entry 1554243

Structure parameters

• Formula: C47 H38 Cl2 N2 O
• Calculated formula: C47 H38 Cl2 N2 O
• SMILES: C(#N)c1ccc2c(c1)C=CC1(N(c3ccc(cc3C1(C)C)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)C)O2.ClCCl
• Title of publication: An AIE fluorescent switch with multi-stimuli responsive properties and applications for quantitatively detecting pH value, sulfite anion and hydrostatic pressure
• Authors of publication: Lin, Tingting; Su, Xing; Wang, Kai; Li, Minjie; Guo, Hongwei; Liu, Lulu; Zou, Bo; Zhang, Yu-Mo; Liu, Yifei; Zhang, Sean Xiao-An
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1052
• a: 20.728 ± 0.009 Å
• b: 11.337 ± 0.005 Å
• c: 17.818 ± 0.008 Å
• α: 90°
• β: 107.633 ± 0.008°
• γ: 90°
• Cell volume: 3990 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.2228
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.247
• Weighted residual factors for all reflections included in the refinement: 0.3413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No