Information card for entry 7202910

Structure parameters

• Common name: 1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex
• Chemical name: 1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex
• Formula: C24 H26 O4
• Calculated formula: C24 H25.364 O4
• Title of publication: A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state
• Authors of publication: Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 786
• a: 10.146 ± 0.002 Å
• b: 17.455 ± 0.002 Å
• c: 12.088 ± 0.002 Å
• α: 90°
• β: 110.9 ± 0.02°
• γ: 90°
• Cell volume: 1999.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No