Information card for entry 7236426

Structure parameters

• Formula: C38 H33 Cl2 N5 O
• Calculated formula: C38 H33 Cl2 N5 O
• Title of publication: Rational design of novel near-infrared fluorescent DCM derivatives and their application in bioimaging
• Authors of publication: Wang, Xiaohang; Guo, Zhiqian; Zhu, Shiqin; Liu, Yajing; Shi, Ping; Tian, He; Zhu, Wei-Hong
• Journal of publication: Journal of Materials Chemistry B
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 27
• Pages of publication: 4683
• a: 8.7921 ± 0.0009 Å
• b: 19.2348 ± 0.0019 Å
• c: 20.091 ± 0.002 Å
• α: 90°
• β: 98.119 ± 0.002°
• γ: 90°
• Cell volume: 3363.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1532
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No