Information card for entry 7213375

Structure parameters

• Chemical name: 2,2'-diphenyl-2,2'-bis(1,3-dioxolanyl)
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: C1(OCCO1)(C1(c2ccccc2)OCCO1)c1ccccc1
• Title of publication: Rotational isomerism and crystal structures of 2,2′-diphenyl-2,2′-bi-1,3-dithianyl and 2,2′-diphenyl-2,2′-bi-1,3-dioxolanyl †
• Authors of publication: Lam, Yulin; Wah Wong, Ming; Huang, Hsing-Hua; Liang, Eping
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 2090
• a: 6.0592 ± 0.0003 Å
• b: 6.9442 ± 0.0004 Å
• c: 17.666 ± 0.001 Å
• α: 90°
• β: 94.023 ± 0.001°
• γ: 90°
• Cell volume: 741.49 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.0956
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No