Information card for entry 7053193

Structure parameters

• Formula: C50 H44 N6 O2
• Calculated formula: C50 H44 N6 O2
• SMILES: [nH]1c2=C(c3nc(=C(c4[nH]c(C(=c5nc(C(=c1cc2)c1ccncc1)cc5)c1ccc(cc1)O[C@@H](CC)C)cc4)c1ccncc1)cc3)c1ccc(cc1)O[C@@H](CC)C
• Title of publication: Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units
• Authors of publication: Marets, N.; Bulach, V.; Hosseini, M. W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 11
• Pages of publication: 3549
• a: 6.6076 ± 0.0009 Å
• b: 10.4384 ± 0.0016 Å
• c: 14.81 ± 0.002 Å
• α: 81.361 ± 0.004°
• β: 80.936 ± 0.005°
• γ: 76.921 ± 0.005°
• Cell volume: 975.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No