Information card for entry 1558618

Structure parameters

• Formula: C20 H15 N O4
• Calculated formula: C20 H15 N O4
• SMILES: O1COc2c1c1c(cc2)c2c(N(C1)C)c1c(cc2)cc2OCOc2c1
• 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: 9.3078 ± 0.0003 Å
• b: 10.2556 ± 0.0003 Å
• c: 17.487 ± 0.0005 Å
• α: 103.668 ± 0.001°
• β: 100.331 ± 0.001°
• γ: 103.757 ± 0.001°
• Cell volume: 1525.61 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No