Crystallography Open Database

Information card for entry 7249517

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Coordinates	7249517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 Br Cl N2 O2
Calculated formula	C7 H8 Br Cl N2 O2
Title of publication	A rapid and scalable method for visible light induced bromination of uracil derivatives in a falling film looping photoreactor
Authors of publication	Naskar, Shibu; Mal, Susital; Shivangi, Shivangi; Das, Subrata
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	47
Pages of publication	34925 - 34937
a	4.6708 ± 0.0005 Å
b	15.134 ± 0.001 Å
c	13.5776 ± 0.0008 Å
α	90°
β	92.765 ± 0.007°
γ	90°
Cell volume	958.65 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0787
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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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