Information card for entry 4111634

Structure parameters

• Formula: C14 H11 O3 P
• Calculated formula: C14 H11 O3 P
• SMILES: P(=O)(O)(Oc1ccccc1)c1ccc(cc1)C#C
• Title of publication: Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer
• Authors of publication: Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 5018 - 5019
• a: 11.1163 ± 0.0006 Å
• b: 9.5844 ± 0.0005 Å
• c: 23.1449 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2465.9 ± 0.2 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No