Information card for entry 7203200

Structure parameters

• Formula: C24 H26 N2 O4
• Calculated formula: C24 H26 N2 O4
• SMILES: O=C(O)C12CC3CC(C1)(CC(C3)C2)C(=O)O.n1ccc(cc1)/C=C/c1ccncc1
• 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: 12.525 ± 0.003 Å
• b: 12.772 ± 0.003 Å
• c: 26.458 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4232.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.186
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No