Information card for entry 1556893

Structure parameters

• Chemical name: Pyridine II
• Formula: C5 H5 N
• Calculated formula: C5 H5 N
• SMILES: n1ccccc1
• 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: 5.392 ± 0.003 Å
• b: 6.806 ± 0.003 Å
• c: 11.261 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 413.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No