Crystallography Open Database

Information card for entry 1571926

1571925 << 1571926 >> 1571927

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Coordinates	1571926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 F3 O3
Calculated formula	C14 H11 F3 O3
Title of publication	Denitrogenative dismantling of heteroaromatics by nucleophilic substitution reactions with diazomethyl compounds.
Authors of publication	Biswas, Soumen; Empel, Claire; Sanchez-Palestino, Luis Mario; Arman, Hadi; Koenigs, Rene M.; Doyle, Michael P.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	28
Pages of publication	11065 - 11071
a	7.1427 ± 0.0003 Å
b	9.1744 ± 0.0004 Å
c	9.7896 ± 0.0004 Å
α	97.571 ± 0.003°
β	107.127 ± 0.004°
γ	95.412 ± 0.004°
Cell volume	601.69 ± 0.05 Å³
Cell temperature	100.01 ± 0.11 K
Ambient diffraction temperature	100.01 ± 0.11 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
293750 (current)	2024-08-05	cif/ Updating files of 1571926, 1571927 Original log message: Adding full bibliography for 1571926--1571927.cif.	1571926.cif
292433	2024-06-18	cif/ Adding structures of 1571926, 1571927 via cif-deposit CGI script.	1571926.cif