Information card for entry 4503215

Structure parameters

• Formula: C16 H14 O
• Calculated formula: C16 H14 O
• Title of publication: Disappearing and Reappearing Polymorphism inp-Methylchalcone
• Authors of publication: Barsky, Inna; Bernstein, Joel; Stephens, Peter W.; Stone, Kevin H.; Cheung, Eugene; Hickey, Magali B.; Henck, Jan-Olav
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 63
• a: 26.2365 ± 0.0009 Å
• b: 5.8236 ± 0.0002 Å
• c: 15.5412 ± 0.0005 Å
• α: 90°
• β: 101.807 ± 0.001°
• γ: 90°
• Cell volume: 2324.31 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No