Information card for entry 1549177

Structure parameters

• Chemical name: 4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine
• Formula: C21 H14 N6
• Calculated formula: C21 H14 N6
• SMILES: c1(cnccn1)c1cc(cc(c2cnccn2)n1)c1c[nH]c2c1cccc2
• Title of publication: 4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine
• Authors of publication: Wang, Jianwei; Yuan, Caixia
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 3
• Pages of publication: x180492
• a: 8.556 ± 0.0017 Å
• b: 8.982 ± 0.0018 Å
• c: 22.13 ± 0.004 Å
• α: 90°
• β: 98.28 ± 0.03°
• γ: 90°
• Cell volume: 1683 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes