Information card for entry 1550837

Structure parameters

• Formula: C32 H40 N4 O2
• Calculated formula: C32 H40 N4 O2
• SMILES: c12cc(ccc1C1(c3ccc(cc3O2)N(CC)CC)c2cccc(c2C(=O)N1CCCC)N)N(CC)CC
• Title of publication: A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy
• Authors of publication: Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.1957 ± 0.0004 Å
• b: 12.2494 ± 0.0005 Å
• c: 23.2226 ± 0.001 Å
• α: 92.193 ± 0.003°
• β: 93.573 ± 0.003°
• γ: 106.021 ± 0.003°
• Cell volume: 2777.6 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No