Crystallography Open Database

Information card for entry 4519102

4519101 << 4519102 >> 4519103

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Coordinates	4519102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Br4 N4 O12
Calculated formula	C40 H32 Br4 N4 O12
Title of publication	Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.
Authors of publication	Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	41
Pages of publication	27466 - 27477
a	11.0125 ± 0.0016 Å
b	6.523 ± 0.0011 Å
c	14.3222 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1028.8 ± 0.2 Å³
Cell temperature	290.69 ± 0.16 K
Ambient diffraction temperature	290.69 ± 0.16 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1376
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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

Version history

Revision	Date	Message	Files
270242 (current)	2021-11-03	cif/ Adding structures of 4519102 via cif-deposit CGI script.	4519102.cif