cell parameter

Crystal data

formula

C39H54F2N8O12

CCDC

2,256,588

relative molecular mass

864.90

temperature/K

170.00

crystal system

monoclinic

space group

C2/c

a/Å

24.615(4)

b/Å

7.1329(12)

c/Å

24.231(4)

α/˚

90

β/˚

93.963(7)

γ/˚

90

Volume/Å3

4244.3(13)

Z

4

ρcalcg/cm3

1.354

μ/mm−1

0.574

F(000)

1832.0

Crystal size/mm3

0.16 × 0.05 × 0.02

Radiation

GaKα (λ = 1.34139)

2Θ range for data collection/˚

6.262 to 121.492

Index ranges

−32 ≤ h ≤ 32, −9 ≤ k ≤ 9, −31 ≤ l ≤ 31

Reflections collected

21,952

Independent reflections

4818 [Rint = 0.0595, Rsigma = 0.0598]

Data/restraints/parameters

4818/29/299

Goodness-of-fit on F2

1.097

Final R indexes [I ≥ 2σ (I)]

R1 = 0.0860, wR2 = 0.2581

Final R indexes [all data]

R1 = 0.1029, wR2 = 0.2820

Largest diff. peak/hole/Å−3

0.71/−0.65