Information card for entry 4508468

Structure parameters

• Common name: CmmOMe
• Chemical name: 3-methoxyphenyl-pyridin-3-ylcarbamate
• Formula: C13 H12 N2 O3
• Calculated formula: C13 H12 N2 O3
• Title of publication: The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates
• Authors of publication: Mocilac, Pavle; Gallagher, John F.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5295
• a: 30.072 ± 0.0007 Å
• b: 30.072 ± 0.0007 Å
• c: 7.037 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5511.2 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No