Information card for entry 2205406

Structure parameters

• Chemical name: 9-Methylene-10,10-bis(phenylethynyl)fluorene
• Formula: C30 H18
• Calculated formula: C30 H18
• SMILES: c12ccccc1c1ccccc1C2=C(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: 9-Methylene-10,10-bis(phenylethynyl)fluorene
• Authors of publication: Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Berger, Harald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o829 - o830
• a: 25.824 ± 0.009 Å
• b: 18.944 ± 0.008 Å
• c: 4.001 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1957.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes