Crystallography Open Database

Information card for entry 7245804

Preview

Coordinates	7245804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 N2 O6
Calculated formula	C29 H28 N2 O6
SMILES	O(c1ccc(cc1)[C@H]1N([C@@]2(C(CC1)(C(=O)OC)C(=O)OC)C(=O)Nc1c2cccc1)c1ccccc1)C.O(c1ccc(cc1)[C@@H]1N([C@]2(C(CC1)(C(=O)OC)C(=O)OC)C(=O)Nc1c2cccc1)c1ccccc1)C
Title of publication	Lewis acid-catalyzed [4 + 2] cycloaddition of donor–acceptor cyclobutanes with iminooxindoles: access to spiro[piperidine-3,2′-oxindoles]
Authors of publication	Chen, Zuliang; Yan, Keyi; Luo, Hui; Yan, Jun; Zeng, Yang
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	49
Pages of publication	32097 - 32101
a	9.3636 ± 0.0004 Å
b	11.4375 ± 0.0005 Å
c	13.7029 ± 0.0006 Å
α	108.892 ± 0.004°
β	90.756 ± 0.004°
γ	111.651 ± 0.004°
Cell volume	1275.75 ± 0.11 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
279227 (current)	2022-11-11	cif/ Adding structures of 7245804 via cif-deposit CGI script.	7245804.cif