Information card for entry 1567735

Structure parameters

• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• Title of publication: Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy
• Authors of publication: Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua
• Journal of publication: Crystals
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 1342
• a: 6.9848 ± 0.0003 Å
• b: 6.9848 ± 0.0003 Å
• c: 5.4744 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 231.3 ± 0.016 ų
• Cell temperature: 100 ± 0.7 K
• Ambient diffraction temperature: 100 ± 0.7 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No