Information card for entry 2235117

Structure parameters

• Chemical name: <i>syn</i>-5,10,15-Tris(dichloromethyl)-5,10,15-trihydroxy- 5<i>H</i>-diindeno[1,2-<i>a</i>:1',2'-<i>c</i>]fluorene dichloromethane 0.82-solvate
• Formula: C30.82 H19.64 Cl7.64 O3
• Calculated formula: C30 H18 Cl6 O3
• SMILES: [C@]1(c2ccccc2c2c3[C@](c4ccccc4c3c3[C@](c4ccccc4c3c12)(C(Cl)Cl)O)(C(Cl)Cl)O)(C(Cl)Cl)O.[C@@]1(c2ccccc2c2c3[C@@](c4ccccc4c3c3[C@@](c4ccccc4c3c12)(C(Cl)Cl)O)(C(Cl)Cl)O)(C(Cl)Cl)O
• Title of publication: <i>syn</i>-5,10,15-Tris(dichloromethyl)-5,10,15-trihydroxy-5<i>H</i>-diindeno[1,2-<i>a</i>:1',2'-<i>c</i>]fluorene dichloromethane 0.82-solvate
• Authors of publication: Morrison, Gregory W.; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1755 - o1756
• a: 10.9719 ± 0.0004 Å
• b: 11.6186 ± 0.0003 Å
• c: 14.0431 ± 0.0005 Å
• α: 71.009 ± 0.002°
• β: 85.291 ± 0.002°
• γ: 68.798 ± 0.002°
• Cell volume: 1576.88 ± 0.09 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Cell measurement pressure: 101.3 kPa
• 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 significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes