Crystallography Open Database

Information card for entry 7247377

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Coordinates	7247377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N O4
Calculated formula	C14 H13 N O4
Title of publication	Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones
Authors of publication	Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	2
Pages of publication	771 - 784
a	11.3019 ± 0.0004 Å
b	6.9207 ± 0.0003 Å
c	16.2735 ± 0.0006 Å
α	90°
β	101.713 ± 0.004°
γ	90°
Cell volume	1246.36 ± 0.09 Å³
Cell temperature	299.03 K
Ambient diffraction temperature	299.03 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2144
Weighted residual factors for all reflections included in the refinement	0.2262
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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