Table 1 H-bonding and selected O–O distances (Å) and H-bond angles (O-H-O in degrees) in 6 × 3, 234432 and 34443 models.

From: The Shape of Native Plant Cellulose Microfibrils

 

Origin

Center

Intra-molecular

intermolecular

Intra-molecular

intermolecular

O3H-O5

O2H-O6

O6H-O3

O6H-O2

O3H-O5

O2H-O6

O6H-O3

O6H-O2

Expt.

1.75

2.70

162

1.90

2.86

165

1.78

2.71

157

2.54

3.21

125

1.97

2.76

137

1.83

2.76

159

2.04

2.89

144

3.63

3.62

81

6 × 3

1.79

2.74

161

1.81

2.80

175

1.75

2.71

162

2.77

3.41

123

1.77

2.74

163

1.74

2.73

169

1.84

2.80

165

2.75

3.36

120

34443

1.79

2.74

161

1.82

2.81

174

1.74

2.70

163

2.77

3.39

121

1.77

2.74

163

1.74

2.73

169

1.83

2.80

163

2.75

3.36

121

234432

1.77

2.73

162

1.80

2.79

175

1.72

2.69

163

2.80

3.43

122

1.77

2.74

164

1.75

2.73

168

1.86

2.82

164

2.76

3.38

121

  1. Experiment values are from refs1,2.
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