Information card for entry 1558616

Structure parameters

• Formula: C21 H19 N O4
• Calculated formula: C21 H19 N O4
• SMILES: O1COc2c1cc1c(c2)ccc2c1N(Cc1c2ccc(OC)c1OC)C
• 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: 20.276 ± 0.003 Å
• b: 8.9776 ± 0.0009 Å
• c: 9.1929 ± 0.001 Å
• α: 90°
• β: 99.218 ± 0.005°
• γ: 90°
• Cell volume: 1651.8 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No