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Table 1 Selected crystal structure data

From: A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one

Compound

I

II

IIIa

IIIb

IV

Formula

C23H16N2O2

C25H18N2O2

C27H20N2O2

C27H20N2O2

C28H22N2O2

F. Wt.

352.38

378.41

404.45

404.45

418.48

Space group

P21

P21/n

P21/c

C2/c

P21/c

a (Å)

10.352(1)

14.384

10.07(3)

20.349(2)

8.610(4)

b (Å)

7.212(1)

8.214

23.91(5)

10.095(2)

12.780(5)

c (Å)

13.320(1)

17.365

9.50(5)

21.338(2)

20.458(8)

α (deg)

90

90

90

90

90

β(deg)

110.33(1)

105.53(1)

110.4(2)

99.06(2)

101.72(3)

γ (deg)

90

90

90

90

90

Z/Z’

2/1

4/1

4/1

8/1

4/1

V (Å3)

932.49

1976.7(2)

2144(13)

4328.6(10)

2204.19(16)

R/Rw

0.043/0.126

0.041/0.114

0.089/0.207

0.062/0.159

0.043/0.084

CCDC Dep/Ref code

1009944

1009945

DOQNAY01

DOQNAY

1009946