Information card for entry 1506025

Structure parameters

• Formula: C25 H16 O
• Calculated formula: C25 H16 O
• SMILES: O1c2ccccc2C2(c3ccccc13)c1ccccc1c1ccccc21
• Title of publication: Unexpected one-pot method to synthesize spiro[fluorene-9,9'-xanthene] building blocks for blue-light-emitting materials.
• Authors of publication: Xie, Ling-Hai; Liu, Feng; Tang, Chao; Hou, Xiao-Ya; Hua, Yu-Ran; Fan, Qu-Li; Huang, Wei
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 2787 - 2790
• a: 10.699 ± 0.002 Å
• b: 16.752 ± 0.003 Å
• c: 9.5269 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1707.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No