Information card for entry 4109627

Structure parameters

• Formula: C36 H30
• Calculated formula: C36 H30
• SMILES: c12ccccc1c1ccccc1C2(C)Cc1ccc(CC2(c3ccccc3c3ccccc23)C)cc1
• Title of publication: Convergent Synthesis of Alternating Fluorene-p-xylene Oligomers and Delineation of the (Silver) Cation-Induced Folding
• Authors of publication: Vincent J. Chebny; Rajendra Rathore
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8458 - 8465
• a: 8.77 ± 0.0006 Å
• b: 20.3186 ± 0.0013 Å
• c: 7.8056 ± 0.0005 Å
• α: 90°
• β: 110.552 ± 0.001°
• γ: 90°
• Cell volume: 1302.39 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No