Information card for entry 7203201

Structure parameters

• Formula: C36 H44 N2 O8
• Calculated formula: C36 H44 N2 O8
• SMILES: C(=O)(C12CC3CC(C1)CC(C3)(C2)C(=O)O)O.n1ccc(cc1)CCc1ccncc1.C(=O)(C12CC3CC(C1)CC(C3)(C2)C(=O)O)O
• 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: 9.3034 ± 0.0019 Å
• b: 10.198 ± 0.002 Å
• c: 10.295 ± 0.002 Å
• α: 60.47 ± 0.03°
• β: 76.13 ± 0.03°
• γ: 72.88 ± 0.03°
• Cell volume: 806.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No