Information card for entry 2102055

Structure parameters

• Formula: C13 H10 O
• Calculated formula: C13 H10 O
• SMILES: O=C(c1ccccc1)c1ccccc1
• Title of publication: Metastable β-phase of benzophenone: independent structure determinations via X-ray powder diffraction and single crystal studies
• Authors of publication: Kutzke, Hartmut; Klapper, Helmut; Hammond, Robert B.; Roberts, Kevin J.
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 486 - 496
• a: 16.2219 ± 0.0011 Å
• b: 8.1468 ± 0.0003 Å
• c: 16.334 ± 0.0007 Å
• α: 90°
• β: 112.911 ± 0.005°
• γ: 90°
• Cell volume: 1988.35 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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
• Goodness-of-fit parameter for all reflections: 2.94
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No