Information card for entry 7129849

Structure parameters

• Formula: C21 H16 O2
• Calculated formula: C21 H16 O2
• Title of publication: Fluorene analogues of xanthenes – low molecular weight near-infrared dyes
• Authors of publication: Grzybowski, Marek; Morawski, Olaf; Nowak, Krzysztof; Garbacz, Paula
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 20.186 ± 0.0015 Å
• b: 7.3066 ± 0.0006 Å
• c: 20.4874 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3021.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1656
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No