Information card for entry 4023020

Structure parameters

• Formula: C28 H24 O2
• Calculated formula: C28 H24 O2
• SMILES: O(c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1)C
• Title of publication: Practical Synthesis of Unsymmetrical Tetraarylethylenes and Their Application for the Preparation of [Triphenylethylene-Spacer-Triphenylethylene] Triads
• Authors of publication: Moloy Banerjee; Susanna J. Emond; Sergey V. Lindeman; Rajendra Rathore
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8054 - 8061
• a: 9.7502 ± 0.0009 Å
• b: 10.4517 ± 0.001 Å
• c: 10.5257 ± 0.001 Å
• α: 90°
• β: 92.547 ± 0.001°
• γ: 90°
• Cell volume: 1071.57 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No