Information card for entry 4344805

Structure parameters

• Formula: C38 H31 N O9
• Calculated formula: C38 H27 N O9
• SMILES: O=C1O[C@@]2(c3c1cccc3)c1ccc(O)cc1Oc1c2ccc2Oc3c([C@]4(OC(=O)c5c4cccc5)c12)ccc(N(CC)CC)c3.O.O
• Title of publication: A Molecular Chameleon with Fluorescein and Rhodamine Spectroscopic Behaviors.
• Authors of publication: Li, Ling; Wang, Chunyan; Wu, Jianjian; Tse, Yu Chung; Cai, Yue-Peng; Wong, Keith Man-Chung
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 205
• a: 8.3836 ± 0.0012 Å
• b: 18.751 ± 0.003 Å
• c: 23.344 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3669.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No