Information card for entry 4505792

Structure parameters

• Chemical name: Nabumatone Form II
• Formula: C15 H16 O2
• Calculated formula: C15 H16 O2
• Title of publication: Polymorph Generation in Capillary Spaces: The Preparation and Structural Analysis of a Metastable Polymorph of Nabumetone
• Authors of publication: Chyall, Leonard J.; Tower, Jeanette M.; Coates, David A.; Houston, Travis L.; Childs, Scott L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2002
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 505
• a: 26.9485 ± 0.0004 Å
• b: 5.8773 ± 0.0004 Å
• c: 7.896 ± 0.0018 Å
• α: 90°
• β: 91.767 ± 0.003°
• γ: 90°
• Cell volume: 1250 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No