Information card for entry 8107540

Structure parameters

• Chemical name: (1-(pyridin-2-yl)-<i>N</i>-(pyridin-2-ylmethyl)-<i>N</i>-((1-(4-vinylbenzyl)- 1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)methyl)methanamine-k^4^<i>N</i>, <i>N</i>',<i>N</i>'',<i>N</i>''')tri(nitrato-k<i>O</i>,<i>O</i>')-erbium(III)
• Formula: C29 H27 Er N8 O9
• Calculated formula: C29 H27 Er N8 O9
• Title of publication: Crystal structure of (3R,3aS,6R,6aR)-6-hexyl-3-methyltetrahydrofuro[3,4-b]furan-2,4-dione, C13H20O4
• Authors of publication: Huang, Yu-Xi; Chen, Zan-Hong; Liao, Yu-Ting; Li, Jia-Yi; Huang, Mei-Ying; Ding, Bo; Huang, Hong-Bo; Tao, Yi-Wen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 719 - 721
• a: 8.6681 ± 0.0002 Å
• b: 13.0695 ± 0.0003 Å
• c: 14.1408 ± 0.0004 Å
• α: 80.13 ± 0.002°
• β: 86.409 ± 0.002°
• γ: 75.761 ± 0.002°
• Cell volume: 1529.43 ± 0.07 ų
• Cell temperature: 295.52 ± 0.1 K
• Ambient diffraction temperature: 295.52 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No