Information card for entry 7203203

Structure parameters

• Formula: C26 H30 N2 O4
• Calculated formula: C26 H30 N2 O4
• SMILES: OC(=O)CC12CC3CC(C1)(CC(C3)C2)CC(=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: 8.5551 ± 0.0017 Å
• b: 11.84 ± 0.002 Å
• c: 12.496 ± 0.003 Å
• α: 106.27 ± 0.03°
• β: 104.97 ± 0.03°
• γ: 98.65 ± 0.03°
• Cell volume: 1139.5 ± 0.5 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: 0.1132
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2538
• Weighted residual factors for all reflections included in the refinement: 0.2816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No