Information card for entry 7218832

Structure parameters

• Chemical name: [5]I
• Formula: C19 H18 I N3 O2
• Calculated formula: C19 H18 I N3 O2
• SMILES: [I-].O=C1N(C(=O)c2c1cc1n(c[n+](c1c2)CC)CC)c1ccccc1
• Title of publication: Symmetrical non-chelating poly-N-heterocyclic carbenes
• Authors of publication: Chen, Ying-Hsuan; Peng, Kai-En; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 107
• Pages of publication: 62789
• a: 14.4332 ± 0.001 Å
• b: 8.5362 ± 0.0006 Å
• c: 15.4137 ± 0.0011 Å
• α: 90°
• β: 100.356 ± 0.002°
• γ: 90°
• Cell volume: 1868.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No