Information card for entry 1515940

Structure parameters

• Formula: C37 H38 N6 O3
• Calculated formula: C37 H38 N6 O3
• SMILES: c12c(cc(C)c(c1)NCC)C1(c3c(cc(c(C)c3)NCC)O2)c2ccccc2C(=O)N1/N=C(C)/c1cnc2ccccc2n1.CO
• Title of publication: Cu2±selective naked-eye and fluorescent probe: its crystal structure and application in bioimaging.
• Authors of publication: Yu, Fabiao; Zhang, Wenshen; Li, Ping; Xing, Yanlong; Tong, Lili; Ma, Jianping; Tang, Bo
• Journal of publication: The Analyst
• Year of publication: 2009
• Journal volume: 134
• Journal issue: 9
• Pages of publication: 1826 - 1833
• a: 10.023 ± 0.003 Å
• b: 12.111 ± 0.003 Å
• c: 15.207 ± 0.004 Å
• α: 102.21 ± 0.004°
• β: 96.443 ± 0.004°
• γ: 113.896 ± 0.004°
• Cell volume: 1608.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0999
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No