Information card for entry 7212769

Structure parameters

• Formula: C14 H8 O3
• Calculated formula: C14 H8 O3
• SMILES: c12c(cccc1)C(=O)OC(=O)c1c2cccc1
• Title of publication: Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source
• Authors of publication: Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3483
• a: 17.034 ± 0.003 Å
• b: 3.893 ± 0.0006 Å
• c: 7.3497 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 487.38 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No