Information card for entry 1514367

Structure parameters

• Formula: C37 H38 Cl2 N4 O3
• Calculated formula: C37 H38 Cl2 N4 O3
• SMILES: c1(c(cc(cc1/C=N/CCN1C(=O)c2ccccc2C21c1ccc(cc1Oc1cc(ccc21)N(CC)CC)N(CC)CC)Cl)Cl)O
• Title of publication: A dual channel optical detector for trace water chemodosimetry and imaging of live cells.
• Authors of publication: Men, Guangwen; Zhang, Guirong; Liang, Chunshuang; Liu, Huiling; Yang, Bing; Pan, Yuyu; Wang, Zhenyu; Jiang, Shimei
• Journal of publication: The Analyst
• Year of publication: 2013
• Journal volume: 138
• Journal issue: 10
• Pages of publication: 2847 - 2857
• a: 13.066 ± 0.005 Å
• b: 9.757 ± 0.003 Å
• c: 29.525 ± 0.011 Å
• α: 90°
• β: 116 ± 0.017°
• γ: 90°
• Cell volume: 3383 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No