Information card for entry 1557299

Structure parameters

• Formula: C5 H12 O4
• Calculated formula: C5 H12 O4
• SMILES: C(CO)(CO)(CO)CO
• Title of publication: A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence
• Authors of publication: Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2926 - 2933
• a: 6.0826 ± 0.0012 Å
• b: 6.0826 ± 0.0012 Å
• c: 8.792 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 325.29 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No