Information card for entry 7150196

Structure parameters

• Common name: imine
• Chemical name: 8(R),13(R),23(S),28(S)-7,14,22,29,31,32-hexaazapentacyclo [25.3.1.1^16,20^.0^8,13^.0^23,28^]-dotriconta- 1(31),2,4,6,14,16(32),17,19,21,29-decaene
• Formula: C26 H30 N6
• Calculated formula: C26 H30 N6
• SMILES: c12cccc(n1)C=N[C@H]1CCCC[C@@H]1N=Cc1cccc(C=N[C@@H]3CCCC[C@H]3N=C2)n1
• Title of publication: New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.
• Authors of publication: Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 17
• Pages of publication: 3161 - 3166
• a: 6.936 ± 0.002 Å
• b: 16.389 ± 0.003 Å
• c: 9.833 ± 0.003 Å
• α: 90°
• β: 92.78 ± 0.03°
• γ: 90°
• Cell volume: 1116.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No