Information card for entry 1549305

Structure parameters

• Formula: C28 H18 N2 O
• Calculated formula: C28 H18 N2 O
• SMILES: O=C1c2cccnc2c2c3c1ccc(N(c1ccccc1)c1ccccc1)c3ccc2
• Title of publication: Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.
• Authors of publication: Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 5165 - 5171
• a: 7.1516 ± 0.0004 Å
• b: 8.5555 ± 0.0005 Å
• c: 16.6112 ± 0.001 Å
• α: 100.052 ± 0.005°
• β: 95.016 ± 0.005°
• γ: 90.498 ± 0.005°
• Cell volume: 996.63 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.085
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No