Crystallography Open Database

Information card for entry 7248591

Preview

Coordinates	7248591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 N2 O4
Calculated formula	C10 H12 N2 O4
Title of publication	Sequential Glaser reaction – diastereoselective cyclocarboxylation of propargylamines with CO2: a green catalytic access to bis-oxazolidinonedienes and their topochemical polymerization
Authors of publication	Mele, Francesco; Constantin, Ana Maria; Sacchelli, Filippo; Schiroli, Debora; Mazzeo, Paolo Pio; Maestri, Giovanni; Motti, Elena; Maggi, Raimondo; Mancuso, Raffaella; Gabriele, Bartolo; Pancrazzi, Francesco; Della Ca’, Nicola
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	11
Pages of publication	6429 - 6435
a	6.6549 ± 0.0003 Å
b	12.8056 ± 0.0005 Å
c	6.6575 ± 0.0003 Å
α	90°
β	116.973 ± 0.002°
γ	90°
Cell volume	505.64 ± 0.04 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
293170 (current)	2024-07-05	cif/ Updating files of 7248591, 7248592, 7248593 Original log message: Adding full bibliography for 7248591--7248593.cif.	7248591.cif
291745	2024-05-07	cif/ Adding structures of 7248591, 7248592, 7248593 via cif-deposit CGI script.	7248591.cif