Information card for entry 1571700

Structure parameters

• Common name: ACl
• Chemical name: ACl
• Formula: C8 H10 Cl N O
• Calculated formula: C8 H10 Cl N O
• SMILES: [Cl-].O=C(c1ccccc1[NH3+])C
• Title of publication: High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions
• Authors of publication: Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing
• Journal of publication: Chemical Science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 10046 - 10055
• a: 4.8984 ± 0.0002 Å
• b: 15.8013 ± 0.0006 Å
• c: 10.8025 ± 0.0005 Å
• α: 90°
• β: 102.614 ± 0.002°
• γ: 90°
• Cell volume: 815.94 ± 0.06 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No