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. Author manuscript; available in PMC: 2017 Dec 2.
Published in final edited form as: Org Lett. 2016 Nov 15;18(23):6112–6115. doi: 10.1021/acs.orglett.6b03119

Table 1.

Unit Cell Parameters

entry sample [DIPA]c a (Å) b (Å) c (Å) β (deg)
1a 1·PhNO2 34.37 ± 0.77 14.99 ± 0.10 30.55 ± 0.41 100.93 ± 0.83
2a 1·DIPA neat 36.39 ± 0.21 14.70 ± 0.03 30.53 ± 0.12 101.90 ± 0.32
3b 1·PhNO2 34.219(2) 15.002(1) 30.331(2) 100.567(5)
4 1·DIPA 48 M 36.966(7) 14.695(8) 30.906(4) 102.626(4)
5 1·DIPA 23 M 37.085(3) 14.666(1) 30.858(2) 102.546(5)
6 1·DIPA 12 M 37.024(5) 14.718(2) 30.883(9) 102.706(13)
7 1·DIPA 5.3 M 37.018(11) 14.668(2) 30.809(5) 102.471(6)
8 1·DIPA 1.3 M 37.174(19) 14.764(2) 30.539(6) 102.885(21)
9 1·DIPA 0.1 M 37.266(9) 14.801(1) 30.471(6) 103.229(14)
10 1·DIPA 0.05 M 37.167(11) 14.799(2) 30.481(5) 102.987(17)
a

Reported as average ± standard deviation, calculated over 10 samples.

b

Crystals were grown from a 1:10 ZnI2:L mixture. See Table S1 for results from other ZnI2:L ratios.

c

Concentration of DIPA in nBu2O used for guest soaking. See Table S2 for results from other DIPA concentrations.