Information card for entry 1556894

Structure parameters

• Chemical name: Pyridine III
• Formula: C5 H5 N
• Calculated formula: C5 H5 N
• SMILES: c1ccccn1
• Title of publication: High-pressure polymorphism in pyridine
• Authors of publication: Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon
• Journal of publication: IUCrJ
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 58 - 70
• a: 5.4053 ± 0.0004 Å
• b: 5.4053 ± 0.0004 Å
• c: 13.4853 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 394 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No