Information card for entry 7109154

Structure parameters

• Formula: C28 H20 N2
• Calculated formula: C28 H20 N2
• SMILES: c1ccc(cn1)/C=C/c1c2ccccc2c(/C=C/c2cccnc2)c2c1cccc2
• Title of publication: Remarkable fluorescence change based on the protonation-deprotonation control in organic crystals
• Authors of publication: Jibo Zhang; Jinlong Chen; Bin Xu; Lijuan Wang; Suqian Ma; Yujie Dong; Bao Li; Ling Ye; Wenjing Tian
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3878
• a: 7.3295 ± 0.0015 Å
• b: 6.3418 ± 0.0013 Å
• c: 21.422 ± 0.004 Å
• α: 90°
• β: 91.26 ± 0.03°
• γ: 90°
• Cell volume: 995.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No