Crystallography Open Database

Information card for entry 7134553

Preview

Coordinates	7134553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 O4
Calculated formula	C17 H14 O4
Title of publication	Cascade C–H functionalization/annulation of 2-aryl-1,3-dicarbonyls with Morita–Baylis–Hillman adducts: access to α-iso-/benzochromenyl acrylates
Authors of publication	Roy, Sajal; Saha, Sharajit; Bhattacharyya, Hemanga; Punniyamurthy, Tharmalingam
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	50
Pages of publication	9095 - 9098
a	17.442 ± 0.013 Å
b	7.489 ± 0.005 Å
c	12.142 ± 0.01 Å
α	90°
β	117.13 ± 0.03°
γ	90°
Cell volume	1411.5 ± 1.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.0939
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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