Information card for entry 7109153

Structure parameters

• Formula: C28 H22 Cl2 N2
• Calculated formula: C28 H22 Cl2 N2
• SMILES: c1cccc2c1c(/C=C/c1c[nH+]ccc1)c1ccccc1c2/C=C/c1c[nH+]ccc1.[Cl-].[Cl-]
• 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: 4.9933 ± 0.001 Å
• b: 7.9912 ± 0.0016 Å
• c: 14.017 ± 0.003 Å
• α: 87.95 ± 0.03°
• β: 85.51 ± 0.03°
• γ: 81.56 ± 0.03°
• Cell volume: 551.4 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0549
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No