Information card for entry 1558617

Structure parameters

• Formula: C22 H22 Cl N O5
• Calculated formula: C22 H22 Cl N O5
• SMILES: [Cl-].O(c1ccc2c(c1OC)c[n+](c1c2ccc2c1cc1OCOc1c2)C)C.OC
• Title of publication: Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution
• Authors of publication: Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong
• Journal of publication: Materials Horizons
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2696 - 2701
• a: 13.288 ± 0.006 Å
• b: 8.182 ± 0.003 Å
• c: 17.804 ± 0.007 Å
• α: 90°
• β: 96.917 ± 0.014°
• γ: 90°
• Cell volume: 1921.6 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0454
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No