Information card for entry 7105352

Structure parameters

• Formula: C28 H28 N2 O2
• Calculated formula: C28 H28 N2 O2
• SMILES: O(C)c1c(c2c(c(cc(c2C)C)c2ccncc2)OC)c(c(cc1c1ccncc1)C)C
• Title of publication: Water clusters induced assembly of chiral organic microstructures showing reversible phase transformations and luminescence switching.
• Authors of publication: Yuan, Guozan; Zhu, Chengfeng; Liu, Yan; Fang, Yu; Cui, Yong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 2307 - 2309
• a: 18.2891 ± 0.0018 Å
• b: 6.7249 ± 0.0007 Å
• c: 19.162 ± 0.002 Å
• α: 90°
• β: 98.169 ± 0.002°
• γ: 90°
• Cell volume: 2332.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No