Information card for entry 2012602

Structure parameters

• Chemical name: phenazine β-polymorph
• Formula: C12 H8 N2
• Calculated formula: C12 H8 N2
• SMILES: c12c(cccc1)nc1c(cccc1)n2
• Title of publication: The β-polymorph of phenazine
• Authors of publication: Jankowski, Wojciech; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o181 - o182
• a: 11.6418 ± 0.0012 Å
• b: 11.5449 ± 0.0011 Å
• c: 6.8981 ± 0.0007 Å
• α: 90°
• β: 99.476 ± 0.01°
• γ: 90°
• Cell volume: 914.48 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes