Crystallography Open Database

Information card for entry 1574053

Preview

Coordinates	1574053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 N O2
Calculated formula	C30 H27 N O2
SMILES	O1C2(CCCCC2)C2=CC(=C)[C@@]3([C@@H]2c2c1ccc1ccccc21)c1c(N(C)C3=O)cccc1
Title of publication	Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.
Authors of publication	He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	7
Pages of publication	3124 - 3129
a	8.6278 ± 0.0004 Å
b	12.3083 ± 0.0006 Å
c	10.9519 ± 0.0005 Å
α	90°
β	95.711 ± 0.003°
γ	90°
Cell volume	1157.25 ± 0.09 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297954 (current)	2025-03-04	cif/ Adding structures of 1574053, 1574054, 1574055, 1574056, 1574057 via cif-deposit CGI script.	1574053.cif