Crystallography Open Database

Information card for entry 1571927

1571926 << 1571927 >> 1571928

Preview

Coordinates	1571927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N5 O4
Calculated formula	C20 H17 N5 O4
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	10.4348 ± 0.0002 Å
b	9.9373 ± 0.0002 Å
c	18.8362 ± 0.0003 Å
α	90°
β	99.256 ± 0.002°
γ	90°
Cell volume	1927.76 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1571927.cif
292433	2024-06-18	cif/ Adding structures of 1571926, 1571927 via cif-deposit CGI script.	1571927.cif