Crystallography Open Database

Information card for entry 7249880

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Coordinates	7249880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Br N2 O P
Calculated formula	C20 H18 Br N2 O P
Title of publication	Sono- and mechanochemical dual syntheses of bio-relevant aryldiazenyl-substituted phosphine oxides/phosphonates via P(O)–H functionalisation
Authors of publication	Mukherjee, Debojyoti; Karmakar, Indrajit; Brahmachari, Goutam
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	9
Pages of publication	2565 - 2577
a	6.9964 ± 0.0006 Å
b	8.4138 ± 0.0008 Å
c	17.0464 ± 0.0018 Å
α	86.124 ± 0.008°
β	89.703 ± 0.008°
γ	73.686 ± 0.008°
Cell volume	960.75 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1093
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2226
Weighted residual factors for all reflections included in the refinement	0.2541
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298964 (current)	2025-04-05	cif/ Updating files of 7249880 Original log message: Adding full bibliography for 7249880.cif.	7249880.cif
297555	2025-02-01	cif/ Adding structures of 7249880 via cif-deposit CGI script.	7249880.cif