Information card for entry 2013858

Structure parameters

• Common name: 1-chloroanthracene photodimer
• Chemical name: trans-bi(1-chloro-9,10-dihydro-9,10-anthracenediyl)
• Formula: C28 H18 Cl2
• Calculated formula: C28 H18 Cl2
• SMILES: Clc1cccc2c1[C@@H]1c3c([C@H]2[C@@H]2c4c([C@H]1c1c2c(Cl)ccc1)cccc4)cccc3
• Title of publication: Monitoring structural transformations in crystals. 7. 1-Chloroanthracene and its photodimer
• Authors of publication: Turowska-Tyrk, Ilona; Grześniak, Karolina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o146 - o148
• a: 20.232 ± 0.002 Å
• b: 11.0746 ± 0.0013 Å
• c: 9.0872 ± 0.0011 Å
• α: 90°
• β: 101.475 ± 0.01°
• γ: 90°
• Cell volume: 1995.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes