Crystallography Open Database

Information card for entry 7127348

Preview

Coordinates	7127348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 N2 O
Calculated formula	C19 H14 N2 O
SMILES	O=C1c2c3c(ccc2NCc2ncccc2)cccc3C=C1
Title of publication	Designing a Cr-catalyst bearing redox non-innocent phenalenyl-based ligand towards hydrosilylative CO<sub>2</sub> functionalization.
Authors of publication	Chakraborty, Soumi; Das, Arpan; Ahmed, Jasimuddin; Barman, Sayani; Mandal, Swadhin K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	89
Pages of publication	13788 - 13791
a	6.1633 ± 0.0009 Å
b	10.2878 ± 0.0014 Å
c	11.0233 ± 0.0016 Å
α	88.901 ± 0.011°
β	81.769 ± 0.012°
γ	81.501 ± 0.012°
Cell volume	684.15 ± 0.17 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0925
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1928
Weighted residual factors for all reflections included in the refinement	0.2178
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
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
260656 (current)	2021-01-07	cif/ Updating files of 7127348, 7127349 Original log message: Adding full bibliography for 7127348--7127349.cif.	7127348.cif
256841	2020-09-30	cif/ Adding structures of 7127348, 7127349 via cif-deposit CGI script.	7127348.cif