Crystallography Open Database

Information card for entry 7160904

Preview

Coordinates	7160904.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-((3R,5'S)-1-methyl-2-oxo-5'-phenyl-5'H-spiro[indoline-3,2'-oxazol]-5'-yl)isoindoline-1,3-dione
Formula	C28.57 H19.43 N3.43 O4.57
Calculated formula	C28.5714 H19.4286 N3.42857 O4.57143
Title of publication	A telescoped diastereoselective synthesis of phthalimido-substituted spiro-oxazoline oxindoles via aziridine expansion strategy
Authors of publication	Nikolaeva, Anna A.; Filippov, Ilya P.; Polekh, Oleg E.; Pankova, Alena S.; Rostovskii, Nikolai V.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	10.237 ± 0.0001 Å
b	15.8519 ± 0.0001 Å
c	25.244 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4096.49 ± 0.06 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	4
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	0.0347
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303489 (current)	2025-11-29	cif/ Adding structures of 7160904 via cif-deposit CGI script.	7160904.cif