Table 5 Lattice parameters of the naphthalene crystal

From: Accurate machine learning interatomic potentials for polyacene molecular crystals: application to single molecule host-guest systems

T (K)/CCDC entry

a

b

c

α

β

γ

Space group

8078 NAPHTA33

8.10

5.94

8.64

90

124.46

90

P 21/a (14)

12078 NAPHTA27

8.12

5.94

8.65

90

124.34

90

P 21/a (14)

15078 NAPHTA34

8.14

5.95

8.65

90

124.08

90

P 21/a (14)

22078 NAPHTA35

8.19

5.96

8.66

90

123.57

90

P 21/a (14)

29578 NAPHTA36

8.25

5.98

8.67

90

122.72

90

P 21/a (14)

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