Information card for entry 7202911

Structure parameters

• Formula: C26 H30 O4
• Calculated formula: C26 H30 O4
• SMILES: Oc1c(O)cc(cc1)C1(c2cc(O)c(O)cc2)CCCCC1.c1(ccc(cc1)C)C
• 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: 10.263 ± 0.004 Å
• b: 12.628 ± 0.004 Å
• c: 17.701 ± 0.006 Å
• α: 93.276 ± 0.004°
• β: 96.005 ± 0.003°
• γ: 107.958 ± 0.005°
• Cell volume: 2160.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No