Crystallography Open Database

Information card for entry 7245256

Preview

Coordinates	7245256.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MSP-348_250K
Formula	C24 H28 F2 N2 O
Calculated formula	C24 H28 F2 N2 O
SMILES	C1(CCC(CC1)CC(C(=O)N(C)C)N=C(c1ccccc1)c1ccccc1)(F)F
Title of publication	Taming photocatalysis in flow: easy and speedy preparation of α-aminoamide derivatives
Authors of publication	Rodríguez, Ricardo I.; Sicignano, Marina; García, Montaña J.; Enríquez, Rodrigo G.; Cabrera, Silvia; Alemán, José
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	17
Pages of publication	6613 - 6618
a	10.1227 ± 0.0017 Å
b	19.823 ± 0.002 Å
c	21.73 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4360.4 ± 1.3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
278419 (current)	2022-10-07	cif/ Updating files of 7245256 Original log message: Adding full bibliography for 7245256.cif.	7245256.cif
277063	2022-08-04	cif/ Adding structures of 7245256 via cif-deposit CGI script.	7245256.cif