Information card for entry 7245247

Structure parameters

• Formula: C24 H18 O2
• Calculated formula: C24 H18 O2
• Title of publication: Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies
• Authors of publication: Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.6118 ± 0.0003 Å
• b: 16.6368 ± 0.0008 Å
• c: 12.4195 ± 0.0006 Å
• α: 90°
• β: 100.26 ± 0.004°
• γ: 90°
• Cell volume: 1750.92 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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 all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No