Crystallography Open Database

Information card for entry 7249994

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Coordinates	7249994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 Cl O2
Calculated formula	C17 H11 Cl O2
Title of publication	Sustainable construction of value-added naphthoquinones for pharmaceuticals
Authors of publication	Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	13
Pages of publication	3465 - 3476
a	4.9955 ± 0.0002 Å
b	5.9148 ± 0.0003 Å
c	11.7073 ± 0.0007 Å
α	103.743 ± 0.002°
β	98.978 ± 0.002°
γ	97.252 ± 0.002°
Cell volume	327.06 ± 0.03 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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