Information card for entry 7214689

Structure parameters

• Formula: C21 H24 O3
• Calculated formula: C21 H24 O3
• Title of publication: Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone
• Authors of publication: Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8599
• a: 8.712 ± 0.0007 Å
• b: 10.1166 ± 0.0008 Å
• c: 10.2478 ± 0.0008 Å
• α: 90.241 ± 0.001°
• β: 107.133 ± 0.001°
• γ: 92.433 ± 0.001°
• Cell volume: 862.21 ± 0.12 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No