Information card for entry 4020000

Structure parameters

• Formula: C17 H21 N2 O0.5
• Calculated formula: C17 H21 N2 O0.5
• Authors of publication: Steven M. Allin; Christopher I. Thomas; Kevin Doyle; Mark R. J. Elsegood
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 357 - 359
• a: 12.762 ± 0.0016 Å
• b: 6.8946 ± 0.0009 Å
• c: 17.222 ± 0.002 Å
• α: 90°
• β: 98.533 ± 0.002°
• γ: 90°
• Cell volume: 1498.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No