Compound/N/Z

f

f+

f0

∆f

Ia

N

Z

1

5

8

11

6

6

6

8

0.0001

0.003

0.0116

0.9878

0.0006

0.0084

0.5586

0.4317

0.0003

0.0043

0.2851

0.7097

0.0004

0.0080

0.5470

−0.5561

Ib

1

5

7

11

6

6

6

8

0.0013

0.0240

0.0004

0.9719

0.0031

0.5685

0.0021

0.4247

0.0022

0.2962

0.0013

0.6983

0.0018

0.5445

0.0017

−0.5473

IIa

1

5

6

10

6

6

6

8

0.0025

0.0156

0.0025

0.9793

0.0073

0.6177

0.0073

0.3673

0.0049

0.3166

0.0049

0.6733

0.0048

0.6021

0.0048

−0.6119

IIb

1

5

8

10

6

6

6

8

0.0000

0.0011

0.0217

0.9770

0.0006

0.0095

0.6088

0.3805

0.0003

0.0053

0.3153

0.6788

0.0006

0.0085

0.5872

−0.5964

IIIa

1

5

8

9

10

6

6

6

8

8

0.0001

0.0015

0.0222

0.9751

0.0010

0.0010

0.0074

0.6367

0.3464

0.0078

0.0006

0.0044

0.3294

0.6608

0.0044

0.0009

0.0059

0.6145

−0.6287

0.0068

IIIb

1

5

6

10

11

6

6

6

8

8

0.0018

0.0162

0.0001

0.0010

0.9808

0.0074

0.6206

0.0006

0.0061

0.3648

0.0046

0.3184

0.0004

0.0035

0.6728

0.0056

0.6044

0.0005

0.0050

−0.6160

IIIc

1

5

8

10

11

6

6

6

8

8

0.0001

0.0001

0.0172

0.0007

0.9814

0.0015

0.0021

0.5696

0.0035

0.4214

0.0008

0.0011

0.2934

0.0021

0.7014

0.0013

0.0020

0.5525

0.0029

−0.5600

IVa

1

2

5

9

12

6

6

6

7

8

0.0146

0.0038

0.0000

0.0029

0.9785

0.6472

0.0006

0.3349

0.0105

0.0060

0.3309

0.0049

0.0003

0.0067

0.6567

0.6327

0.0022

0.0006

0.0076

−0.6436