Information card for entry 7132588

Structure parameters

• Formula: C14 H19 N O6
• Calculated formula: C14 H19 N O6
• SMILES: O=C1OC(OC([O-])=C1[C@H]1[C@@H]2[NH+](C)CCO[C@@H]2CC1=O)(C)C.O=C1OC(OC([O-])=C1[C@@H]1[C@H]2[NH+](C)CCO[C@H]2CC1=O)(C)C
• Title of publication: Enriched switching in a donor-acceptor Stenhouse adduct <i>via</i> reversible covalent bonding.
• Authors of publication: Zheng, Peng Xuan; Ou, Song Lin; Qu, Lei Yu; Zhang, Ying; Jiang, Shi Qing; Li, Xiang; Wan, Jun Xiong; Zhang, Min; Bao, Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 10
• Pages of publication: 1333 - 1336
• a: 17.469 ± 0.005 Å
• b: 7.599 ± 0.002 Å
• c: 11.007 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1461.1 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No