Crystallography Open Database

Information card for entry 7157976

Preview

Coordinates	7157976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N O
Calculated formula	C24 H19 N O
SMILES	O=C(c1ccccc1)c1cc([nH]c1c1cccc(C)c1)c1ccccc1
Title of publication	Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.
Authors of publication	Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	15
Pages of publication	3428 - 3433
a	14.282 ± 0.0013 Å
b	13.5704 ± 0.0009 Å
c	10.3175 ± 0.0009 Å
α	90°
β	110.86 ± 0.002°
γ	90°
Cell volume	1868.6 ± 0.3 Å³
Cell temperature	287 ± 2 K
Ambient diffraction temperature	287.55 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1752
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
264959 (current)	2021-05-05	cif/ Updating files of 7157976, 7157977 Original log message: Adding full bibliography for 7157976--7157977.cif.	7157976.cif
263157	2021-03-19	cif/ Adding structures of 7157976, 7157977 via cif-deposit CGI script.	7157976.cif