Information card for entry 4036929

Structure parameters

• Formula: C23 H27 Cl N2 O5
• Calculated formula: C23 H27 Cl N2 O5
• SMILES: [o+]1c2c(cc3ccc(N(CC)CC)cc13)CCc1c2ccc(N(C)C)c1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Deep-Red and Near-Infrared Xanthene Dyes for Rapid Live Cell Imaging.
• Authors of publication: Niu, Guangle; Liu, Weimin; Zhou, Bingjiang; Xiao, Hongyan; Zhang, Hongyan; Wu, Jiasheng; Ge, Jiechao; Wang, Pengfei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 17
• Pages of publication: 7393 - 7399
• a: 7.6833 ± 0.0017 Å
• b: 16.259 ± 0.004 Å
• c: 17.707 ± 0.004 Å
• α: 90°
• β: 98.538 ± 0.003°
• γ: 90°
• Cell volume: 2187.5 ± 0.9 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.08
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No