Information card for entry 2300759

Structure parameters

• Formula: C18 H10 O3
• Calculated formula: C18 H10 O3
• Title of publication: Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival
• Authors of publication: Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2025
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 678 - 687
• a: 18.0174 ± 0.0001 Å
• b: 20.9221 ± 0.0002 Å
• c: 26.0847 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9832.94 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No