Table 2 Crystal data and structure refinement details for compound 9a

Molecular formula

C₁₁H₁₁NO₄

Formula weight

221.21

Crystal system

Monoclinic

Space group

P2₁/c

Unit cell dimensions

a = 7.3649 (2)Å

b = 18.6848 (5)Å

c = 9.3738 (3)Å, β = 121.126 (2)°

Volume

1104.23 (5) ų

Z, Calculated density

1.331 g cm⁻³

F(000)

464

Crystal size

0.52 × 0.48 × 0.22 mm

θ range for data collection

θ_max = 70.1°, θ_min = 4.7°

Limiting indices

−8 < =h < =7, −22 < =k < =22, −9 < =l < =11

Reflections collected/unique

7581/2018 [R_int = 0.022]

Completeness

to theta 70.1 = 96.2%

Absorption correction

multi-scan, SADABS Bruker 2009

Refinement method

Full-matrix least-squares on F²

Goodness-of-fit on F ²

1.11

CCDC number

942706