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Table 1 The crystal and experimental data of compound 3

From: Structural and spectral investigations of the recently synthesized chalcone (E)-3-mesityl-1-(naphthalen-2-yl) prop-2-en-1-one, a potential chemotherapeutic agent

Crystal data

 

Chemical formula

C22H20O

M r

300.38

Crystal system, space group

Orthorhombic, Pca21

Temperature (K)

100

a, b, c (Å)

27.3605 (9), 7.8271 (3), 7.4710 (2)

V3)

1599.94 (9)

Z

4

Radiation type

Mo Kα

μ (mm − 1)

0.07

Crystal size (mm)

0.67 × 0.27 × 0.16

Data collection

 

Diffractometer

BrukerAPEX-II D8 Venture diffractometer

Absorption correction

Multi-scan

SADABS V2012/1 (Bruker AXS Inc.)

 

Tmin, Tmax

0.94, 0.99

No. of measured, independent and observed [I > 2σ (I)] reflections

38877, 4902, 4472

Rint

0.042

Refinement

 

R [F2 > 2σ (F2)], wR (F2), S

0.041, 0.107, 1.05

No. of reflections

4902

No. of parameters

211

No. of restraints

1

H-atom treatment

H-atom parameters constrained

Δρmax, Δρmin (e Å−3)

0.39, −0.19