Information card for entry 4510778

Structure parameters

• Formula: C26 H22 Cl2 N2
• Calculated formula: C26 H22 Cl2 N2
• SMILES: [Cl-].[Cl-].[NH3+]c1ccc(c2c3ccccc3c(c3ccccc23)c2ccc([NH3+])cc2)cc1
• Title of publication: Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions
• Authors of publication: Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4986
• a: 10.8562 ± 0.0002 Å
• b: 8.0322 ± 0.0001 Å
• c: 14.1325 ± 0.0003 Å
• α: 90°
• β: 102.146 ± 0.0008°
• γ: 90°
• Cell volume: 1204.76 ± 0.04 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.3859
• Goodness-of-fit parameter for all reflections included in the refinement: 2.035
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No