Information card for entry 7111198

Structure parameters

• Formula: C26 H22 N6
• Calculated formula: C26 H22 N6
• SMILES: [nH]1c(ccc1Cc1[nH]ccc1)c1nc2ccccc2nc1c1[nH]c(cc1)Cc1[nH]ccc1
• Title of publication: Quinoxaline-oligopyrroles: Improved pyrrole-based anion receptorsElectronic supplementary information (ESI) available: synthetic details of 3 and 4, titration studies for anion binding of 3 and 4, and crystallographic details for 3. See http://www.rsc.org/suppdata/cc/b1/b111708d/
• Authors of publication: Sessler, Jonathan L.; Maeda, Hiromitsu; Mizuno, Toshihisa; Lynch, Vincent M.; Furuta, Hiroyuki
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 862
• a: 22.2659 ± 0.0012 Å
• b: 5.3668 ± 0.0002 Å
• c: 17.3911 ± 0.0007 Å
• α: 90°
• β: 96.131 ± 0.002°
• γ: 90°
• Cell volume: 2066.29 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.2683
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No