Information card for entry 7151398

Structure parameters

• Formula: C49 H48 N4 O6 Si Zn
• Calculated formula: C49 H48 N4 O6 Si Zn
• SMILES: [Zn]123([n]4c5=C(c6ccc(C(=c7ccc(C(=c8ccc(=Cc4cc5)n18)c1c(cccc1OC)OC)[n]27)c1ccccc1C#C[Si](C)(C)C)n36)c1c(cccc1OC)OC)[OH]C.OC
• Title of publication: Dendritic metalloporphyrins with a distal H-bond donor as mimics of haemoglobinElectronic supplementary information (ESI) available: procedures for the synthesis of 1 and 5 and iron(ii) insertion into the dendritic porphyrins including full spectral characterisation and complete EPR characterisation of the complex 22·Co(dmim) and the corresponding oxygenated complex. See http://www.rsc.org/suppdata/ob/b2/b212468h/
• Authors of publication: Felber, Beatrice; Calle, Carlos; Seiler, Paul; Schweiger, Arthur; Diederich, François
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 7
• Pages of publication: 1090
• a: 12.3217 ± 0.0002 Å
• b: 15.4829 ± 0.0002 Å
• c: 22.9369 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4375.8 ± 0.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No