Information card for entry 7104109

Structure parameters

• Formula: C26 H30 N2 O9
• Calculated formula: C26 H26 N2 O9
• SMILES: O=C(c1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](Cc2ccc(C(=O)[O-])cc2)cc1)[O-].O.O.O.O.O
• Title of publication: The formation of a hydrated homochiral helix from an achiral zwitterionic salt, spontaneous chiral symmetry breaking and redox chromism of crystals.
• Authors of publication: Yao, Qing-Xia; Xuan, Wei-Min; Zhang, Hui; Tu, Chao-Yang; Zhang, Jie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 59 - 61
• a: 9.671 ± 0.0004 Å
• b: 9.671 ± 0.0004 Å
• c: 22.674 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1836.54 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No