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Crystal data for (2S*,2′S*)-(P*,P*)-cis- 5: C34H36, Mr = 444.66, orthorhombic, Pbca, a = 7.2761(3), b = 19.4524(8), c = 36.240(1) , V = 5129.3(3) 3, Z = 8, Dc = 1.152 g cm-3, T = 100(1) K, number of reflections: 6334; number of refined parameters: 451; final agreement factors: wR(F 2) = 0.1230, R(F) = 0.0475, GooF = 1.030. CCDC reference number 271758. For crystallographic data in CIF or other electronic format see DOI:
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For details concerning the calculations, see the ESI Selected structural parameters of these calculations of 4 and 5 and comparison with X-ray data can be found in the Experimental section
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Komaromi, I.43
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