Identification Code

Y-ASC

Empirical formula

C23H15N

C23H15N

Formula weight

305.36

305.36

Temperature/K

295 (2)

295 (2)

Crystal system

triclinic

monoclinic

Space group

P-1

P21/c

a/Å

8.0095 (3)

18.5724 (7)

b/Å

13.1679 (5)

5.3151 (2)

c/Å

16.5640 (6)

17.5071 (6)

α/°

75.008 (2)

90

β/°

76.079 (2)

109.456 (2)

γ/°

83.276 (2)

90

Volume/Å3

1635.14 (11)

1629.51 (10)

Z

4

4

ρcalcg/cm3

1.24

1.245

μ/mm‑1

0.551

0.552

F(000)

726

726

Crystal size/mm3

0.05 × 0.04 × 0.03

0.05 × 0.04 × 0.03

Radiation

CuKα (λ = 1.54178)

CuKα (λ = 1.54178)

2Θ range for data collection/°

5.66 to 133.672

5.046 to 133.546

Index ranges

−9 ≤ h ≤ 9, −15 ≤ k ≤ 15, −19 ≤ l ≤ 19

−22 ≤ h ≤ 22, −6 ≤ k ≤ 6, −20 ≤ l ≤ 20

Reflections collected

21852

14992

Independent reflections

5767 [Rint = 0.0448, Rsigma = 0.0354]

2875 [Rint = 0.0501, Rsigma = 0.0312]

Data/restraints/parameters

5767/0/433

2875/0/217

Goodness-of-fit on F2

0.946

0.973

Final R indexes [I ≥ 2σ (I)]

R1 = 0.0439, wR2 = 0.1237

R1 = 0.0454, wR2 = 0.1269

Final R indexes [all data]

R1 = 0.0698, wR2 = 0.1437

R1 = 0.0700, wR2 = 0.1467

Largest diff. peak/hole/e Å-3

0.12/−0.18

0.12/−0.16

CCDC No.

1947750

1947751