Crystallography Open Database

Information card for entry 7134644

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Coordinates	7134644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O5
Calculated formula	C21 H19 N O5
Title of publication	Divergent [3+2] annulations of oxime acetates with thioaurones/aurones leading to benzothiazino-/benzoyl-pyrroles
Authors of publication	Reddy, Chada Raji; Enagandhula, Damodar; Ramaraju, Andhavaram; Shivakrishna, Avula; Adepu, Raju
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	55
Pages of publication	10162 - 10165
a	18.065 ± 0.0005 Å
b	7.471 ± 0.0002 Å
c	13.402 ± 0.0004 Å
α	90°
β	97.245 ± 0.002°
γ	90°
Cell volume	1794.34 ± 0.09 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.1056
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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