Information card for entry 1549728

Structure parameters

• Formula: C17 H13 N2 O3
• Calculated formula: C17 H12 N2 O3
• SMILES: o1c2cc(OC)ccc2cc(c1=O)c1nc2c([nH]1)cccc2
• Title of publication: Synthesis and antitumor mechanisms of two novel platinum(II) complexes with 3-(2′-benzimidazolyl)-7-methoxycoumarin
• Authors of publication: Qin, Qi-Pin; Wang, Shulong; Tan, Mingxiong; Wang, Zhen-Feng; Huang, Xiao-Ling; Wei, Qingmin; Shi, Bei-Bei; Zou, Bi-Qun; Liang, Hong
• Journal of publication: Metallomics
• Year of publication: 2018
• a: 13.2523 ± 0.0007 Å
• b: 8.0408 ± 0.0004 Å
• c: 12.7339 ± 0.0006 Å
• α: 90°
• β: 91.04 ± 0.004°
• γ: 90°
• Cell volume: 1356.69 ± 0.12 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.059
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No