Information card for entry 7053194

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](C)CC)cc4)c1ccncc1)cc3)c1ccc(cc1)O[C@@H](C)CC
• 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: 6.6001 ± 0.0001 Å
• b: 10.4252 ± 0.0002 Å
• c: 14.7935 ± 0.0002 Å
• α: 81.367 ± 0.001°
• β: 80.888 ± 0.001°
• γ: 76.888 ± 0.001°
• Cell volume: 971.93 ± 0.03 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: 0.053
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No