Information card for entry 7151779

Structure parameters

• Formula: C25 H26 Cl3 N5 O3
• Calculated formula: C25 H26 Cl3 N5 O3
• SMILES: ClC(Cl)Cl.o1c2c(c3nc(nc(c3c1=O)N)c1cccc(OCCN3CCN(CC3)C)c1)cccc2
• Title of publication: Disubstituted 2-phenyl-benzopyranopyrimidine derivatives as a new type of highly selective ligands for telomeric G-quadruplex DNA.
• Authors of publication: Wu, Wei-Bin; Chen, Shu-Han; Hou, Jin-Qiang; Tan, Jia-Heng; Ou, Tian-Miao; Huang, Shi-Liang; Li, Ding; Gu, Lian-Quan; Huang, Zhi-Shu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 2975 - 2986
• a: 9.2025 ± 0.0003 Å
• b: 11.0726 ± 0.0003 Å
• c: 14.1584 ± 0.0004 Å
• α: 83.548 ± 0.002°
• β: 72.05 ± 0.002°
• γ: 67.759 ± 0.003°
• Cell volume: 1270.33 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No