Information card for entry 7108728

Structure parameters

• Formula: C36 H27 N O
• Calculated formula: C36 H27 N O
• SMILES: c1(ccc(cc1)C(=C\c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)\C#N)OC
• Title of publication: An aggregation-induced emission luminophore with multi-stimuli single- and two-photon fluorescence switching and large two-photon absorption cross section
• Authors of publication: Bingjia Xu; Mingyuan Xie; Jiajun He; Bin Xu; Zhenguo Chi; Wenjing Tian; Long Jiang; Fuli Zhao; Siwei Liu; Yi Zhang; Zhizhan Xu; Jiarui Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 273
• a: 26.602 ± 0.004 Å
• b: 5.8933 ± 0.0009 Å
• c: 17.336 ± 0.003 Å
• α: 90°
• β: 101.602 ± 0.003°
• γ: 90°
• Cell volume: 2662.3 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0569
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No