Crystallography Open Database

Information card for entry 7127138

Preview

Coordinates	7127138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29 I2 N4 O Sm
Calculated formula	C33 H29 I2 N4 O Sm
SMILES	[Sm]1(I)(I)(OC(c2ccccc2)(c2[n]1cccc2)c1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
Title of publication	Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.
Authors of publication	Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	79
Pages of publication	11875 - 11878
a	9.2854 ± 0.001 Å
b	15.4014 ± 0.0014 Å
c	24.686 ± 0.003 Å
α	90°
β	100.528 ± 0.004°
γ	90°
Cell volume	3470.9 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	6
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	0.0594
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
260643 (current)	2021-01-07	cif/ Updating files of 7127135, 7127136, 7127137, 7127138, 7127139, 7127140, 7127141 Original log message: Adding full bibliography for 7127135--7127141.cif.	7127138.cif
255720	2020-08-29	cif/ Adding structures of 7127135, 7127136, 7127137, 7127138, 7127139, 7127140, 7127141 via cif-deposit CGI script.	7127138.cif