Crystallography Open Database

Information card for entry 1570140

Preview

Coordinates	1570140.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SS-P4-3a
Formula	C2.08 H2.24 N0.32 O0.48
Calculated formula	C2.08 H2.24 N0.32 O0.48
Title of publication	Skeletal rearrangement through photocatalytic denitrogenation: access to C-3 aminoquinolin-2(1<i>H</i>)-ones.
Authors of publication	Singh, Swati; Chakrabortty, Gopal; Raha Roy, Sudipta
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	44
Pages of publication	12541 - 12547
a	7.7425 ± 0.0015 Å
b	8.7545 ± 0.0018 Å
c	18.745 ± 0.004 Å
α	101.445 ± 0.007°
β	91.78 ± 0.006°
γ	93.333 ± 0.006°
Cell volume	1242 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1437
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.2106
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
288722 (current)	2024-01-06	cif/ Updating files of 1570140 Original log message: Adding full bibliography for 1570140.cif.	1570140.cif
287005	2023-10-18	cif/ Adding structures of 1570140 via cif-deposit CGI script.	1570140.cif