Information card for entry 7203198

Structure parameters

• Formula: C32 H32 N2 O2 S
• Calculated formula: C32 H32 N2 O2 S
• Title of publication: Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines
• Authors of publication: Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 189
• a: 12.632 ± 0.003 Å
• b: 32.034 ± 0.006 Å
• c: 6.2215 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2517.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1351
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No