Information card for entry 1562684

Structure parameters

• Formula: C24 H20 Cl3 N4 O0.6
• Calculated formula: C24 H20 Cl3 N4 O0.4
• Title of publication: Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating
• Authors of publication: Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• Journal volume: 125
• Journal issue: 20
• Pages of publication: 10991 - 10997
• a: 7.047 ± 0.0014 Å
• b: 8.9611 ± 0.0018 Å
• c: 9.4376 ± 0.0019 Å
• α: 76.52 ± 0.03°
• β: 71.24 ± 0.03°
• γ: 86.47 ± 0.03°
• Cell volume: 548.7 ± 0.2 ų
• Cell temperature: 333 ± 2 K
• Ambient diffraction temperature: 333 ± 2 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: 0.1322
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No