Information card for entry 1550838

Structure parameters

• Formula: C34 H44 N4 O2
• Calculated formula: C34 H44 N4 O2
• SMILES: O=C1N(C2(c3c1c(N(C)C)ccc3)c1ccc(N(CC)CC)cc1Oc1cc(N(CC)CC)ccc21)CCCC
• 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: 11.0084 ± 0.0007 Å
• b: 12.0389 ± 0.0007 Å
• c: 12.2322 ± 0.0008 Å
• α: 79.257 ± 0.005°
• β: 66.321 ± 0.006°
• γ: 78.199 ± 0.005°
• Cell volume: 1443.4 ± 0.17 ų
• Cell temperature: 130 ± 6 K
• Ambient diffraction temperature: 130 ± 6 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: 0.1224
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No