Information card for entry 2216419

Structure parameters

• Chemical name: 9-Benzylidene-2,7-dichloro-4-oxiranyl-9<i>H</i>-fluorene
• Formula: C22 H14 Cl2 O
• Calculated formula: C22 H14 Cl2 O
• SMILES: Clc1cc2C(c3cc(Cl)cc(c3c2cc1)C1OC1)=Cc1ccccc1
• Title of publication: 9-Benzylidene-2,7-dichloro-4-oxiranyl-9<i>H</i>-fluorene
• Authors of publication: Guo-Wu Rao; Zhi-Yan Hu; Ren-Hua Zheng; Ji-Zhong Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4786 - o4786
• a: 4.486 ± 0.0015 Å
• b: 20.379 ± 0.007 Å
• c: 9.497 ± 0.003 Å
• α: 90°
• β: 94.651 ± 0.004°
• γ: 90°
• Cell volume: 865.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes