Crystallography Open Database

Information card for entry 7157645

Preview

Coordinates	7157645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 N4 O8
Calculated formula	C24 H32 N4 O8
Title of publication	Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.
Authors of publication	Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	33
Pages of publication	6564 - 6570
a	9.621 ± 0.002 Å
b	8.003 ± 0.002 Å
c	33.196 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2556 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
256170 (current)	2020-09-06	cif/ Updating files of 7157645, 7157646 Original log message: Adding full bibliography for 7157645--7157646.cif.	7157645.cif
255236	2020-08-11	cif/ Adding structures of 7157645, 7157646 via cif-deposit CGI script.	7157645.cif