Information card for entry 2218575

Structure parameters

• Chemical name: 9-Chloromethyl-9-[(9<i>H</i>-fluoren-9-yl)methyl]-9<i>H</i>-fluorene
• Formula: C28 H21 Cl
• Calculated formula: C28 H21 Cl
• SMILES: ClCC1(c2ccccc2c2ccccc12)CC1c2ccccc2c2ccccc12
• Title of publication: 9-Chloromethyl-9-[(9<i>H</i>-fluoren-9-yl)methyl]-9<i>H</i>-fluorene
• Authors of publication: Shen, Qun; Yu, Shu-Qiang; Hu, Bin-Bin; Lu, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o996
• a: 8.4346 ± 0.0017 Å
• b: 26.368 ± 0.005 Å
• c: 9.1162 ± 0.0018 Å
• α: 90°
• β: 94.08 ± 0.03°
• γ: 90°
• Cell volume: 2022.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes