Crystallography Open Database

Information card for entry 7063539

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Coordinates	7063539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 N O6 S
Calculated formula	C21 H17 N O6 S
Title of publication	Regioselective alkenylation of masked carboxylic acid derivatives of coumarins with acrylates via oxidative C(sp2)–C(sp2) cross-coupling
Authors of publication	Chaitanya, Kalakonda Raga; Ambala, Srinivas; Kodiripaka, Bheeshma Geetanjali; Babu, Bathini Nagendra
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	47
Pages of publication	19742 - 19745
a	18.2329 ± 0.0019 Å
b	7.2566 ± 0.0008 Å
c	15.731 ± 0.002 Å
α	90°
β	113.051 ± 0.005°
γ	90°
Cell volume	1915.2 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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