Crystallography Open Database

Information card for entry 7158761

Preview

Coordinates	7158761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 N O2
Calculated formula	C15 H13 N O2
Title of publication	Redox activated amines in the organophotoinduced alkylation of coumarins.
Authors of publication	Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	29
Pages of publication	5716 - 5720
a	8.805 ± 0.003 Å
b	6.864 ± 0.002 Å
c	10.545 ± 0.004 Å
α	90°
β	110.673 ± 0.01°
γ	90°
Cell volume	596.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1836
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
277136 (current)	2022-08-06	cif/ Updating files of 7158761, 7158762 Original log message: Adding full bibliography for 7158761--7158762.cif.	7158761.cif
276863	2022-07-23	cif/ Adding structures of 7158761, 7158762 via cif-deposit CGI script.	7158761.cif