Information card for entry 7015844

Structure parameters

• Formula: C26 H26 N6 O2
• Calculated formula: C26 H26 N6 O2
• SMILES: c1nc2c(cc1)cccc2NC(=O)CN1CCN(CC(=O)Nc2cccc3cccnc23)CC1
• Title of publication: An efficient sensor for Zn(2+) and Cu(2+) based on different binding modes.
• Authors of publication: Jiang, Jie; Jiang, Huie; Tang, Xiaoliang; Yang, Lizi; Dou, Wei; Liu, Weisheng; Fang, Ran; Liu, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 24
• Pages of publication: 6367 - 6370
• a: 8.1803 ± 0.0011 Å
• b: 8.706 ± 0.0011 Å
• c: 9.7467 ± 0.0013 Å
• α: 67.882 ± 0.001°
• β: 79.756 ± 0.001°
• γ: 65.593 ± 0.001°
• Cell volume: 585.38 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0434
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No