Crystallography Open Database

Information card for entry 7132206

Preview

Coordinates	7132206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 N O4
Calculated formula	C18 N O4
SMILES	c1ccccc1C(=O)[C@@H]1[C@H]2CCC[C@H]2N(C(=O)OC(C)(C)C)O1.c1ccccc1C(=O)[C@H]1[C@@H]2CCC[C@@H]2N(C(=O)OC(C)(C)C)O1
Title of publication	Brønsted acid-catalyzed annulation reaction of hydroxamic acids: synthesis of cyclopentane-fused isoxazolidines and their benzilic amide rearrangement
Authors of publication	Mondal, Swati Lekha; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin
Journal of publication	Chemical Communications
Year of publication	2023
a	12.2934 ± 0.0005 Å
b	14.3475 ± 0.0005 Å
c	9.7444 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1718.71 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.6691
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
286931 (current)	2023-10-13	cif/ Adding structures of 7132206, 7132207 via cif-deposit CGI script.	7132206.cif