Crystallography Open Database

Information card for entry 7061624

Preview

Coordinates	7061624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 N O4
Calculated formula	C28 H29 N O4
SMILES	O=C1c2ccccc2C(=O)C21N1[C@@H](C[C@@]32C(=O)O[C@H]2[C@H]3CCC(=C)[C@H]3[C@@H]2C(=C)CC3)CCC1
Title of publication	Diastereoselective construction of a library of structural bispiro[butyrolactone/valerolactone–pyrrolidine–indanedione] hybrids via 1,3-dipolar cycloaddition reactions
Authors of publication	Zhang, Lei; Quan, Wei; Liu, Ren-Ming; Tian, You-Ping; Pan, Bo-Wen; Liu, Xiong-Li
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	25
Pages of publication	11975 - 11979
a	8.1259 ± 0.0002 Å
b	8.1259 ± 0.0002 Å
c	67.712 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4471 ± 0.2 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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
276305 (current)	2022-06-28	cif/ Adding structures of 7061623, 7061624 via cif-deposit CGI script.	7061624.cif