Information card for entry 7221569

Structure parameters

• Formula: C25 H20 O
• Calculated formula: C25 H20 O
• SMILES: OC(c1ccccc1)(c1ccccc1)c1ccc(cc1)c1ccccc1
• Title of publication: Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds
• Authors of publication: Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 33
• Pages of publication: 6355
• a: 8.9849 ± 0.0006 Å
• b: 5.7029 ± 0.0003 Å
• c: 17.1999 ± 0.0011 Å
• α: 90°
• β: 99.978 ± 0.004°
• γ: 90°
• Cell volume: 867.99 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No