Information card for entry 7019695

Structure parameters

• Chemical name: 1,2-di(fluoren-9'-ylidene)-3,4-di(spiro-9H-fluorene)-cyclobutane dichloromethane solvate
• Formula: C55 H34 Cl2
• Calculated formula: C55 H34 Cl2
• SMILES: ClCCl.C1(=C2c3ccccc3c3ccccc23)C(=C2c3c(c4c2cccc4)cccc3)C2(c3ccccc3c3ccccc23)C21c1ccccc1c1ccccc21
• Title of publication: Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.
• Authors of publication: Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9073 - 9082
• a: 18.3571 ± 0.0017 Å
• b: 17.9992 ± 0.0019 Å
• c: 23.152 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7649.7 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No