Crystallography Open Database

Information card for entry 7159452

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Coordinates	7159452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 O4 S
Calculated formula	C31 H34 O4 S
Title of publication	Design and development of intramolecular doubly vinylogous Michael addition to access 3-aryl substituted 2-alkenyl-benzofurans and -indoles.
Authors of publication	Subbi Reddy, Manyam; Nanubolu, Jagadeesh Babu; Suresh, Surisetti
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	26
Pages of publication	5387 - 5397
a	17.6839 ± 0.0009 Å
b	11.2101 ± 0.0006 Å
c	15.0773 ± 0.0007 Å
α	90°
β	106.593 ± 0.002°
γ	90°
Cell volume	2864.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1352
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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