Information card for entry 1506120

Structure parameters

• Formula: C35 H22
• Calculated formula: C35 H22
• SMILES: C1(c2ccccc2)(c2ccccc2c2ccccc12)c1ccc2ccc3c4c2c1ccc4ccc3
• Title of publication: Facile synthesis of complicated 9,9-diarylfluorenes based on BF3.Et2O-mediated Friedel-Crafts reaction.
• Authors of publication: Xie, Ling-Hai; Hou, Xiao-Ya; Hua, Yu-Ran; Tang, Chao; Liu, Feng; Fan, Qu-Li; Huang, Wei
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3701 - 3704
• a: 14.922 ± 0.004 Å
• b: 8.735 ± 0.002 Å
• c: 17.45 ± 0.005 Å
• α: 90°
• β: 94.143 ± 0.004°
• γ: 90°
• Cell volume: 2268.6 ± 1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0594
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No