Information card for entry 1573307

Structure parameters

• Formula: C36 H30 N2
• Calculated formula: C36 H30 N2
• SMILES: n1cccc2c(c3cc4c(c5cccnc5c4cc3c12)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Magnetoresistance effect of pyridine-capped <i>s</i>-indacene-based conjugated radicals.
• Authors of publication: Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui
• Journal of publication: Materials horizons
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1524 - 1531
• a: 15.9161 ± 0.0004 Å
• b: 17.8282 ± 0.0004 Å
• c: 18.1544 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5151.4 ± 0.2 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No