Information card for entry 4026592

Structure parameters

• Formula: C24 H22 O
• Calculated formula: C24 H22 O
• SMILES: O(C)c1ccc(cc1)/C(=C\1c2ccccc2c2c1cccc2)CCC
• Title of publication: Palladium-Catalyzed Annulation of 2-(1-Alkynyl)biphenyls with Aryl Iodides to Disubstituted Methylidenefluorenes.
• Authors of publication: Chin-Chau Chen; Shyh-Chyun Yang; Ming-Jung Wu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 7631 - 7631
• a: 10.0199 ± 0.0004 Å
• b: 7.6276 ± 0.0003 Å
• c: 12.0388 ± 0.0005 Å
• α: 90°
• β: 102.113 ± 0.002°
• γ: 90°
• Cell volume: 899.61 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No