Crystallography Open Database

Information card for entry 7160410

Preview

Coordinates	7160410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 O
Calculated formula	C36 H26 O
Title of publication	Meyer-Schuster rearrangement/allylic alkenylation of propynolaldehydes with olefins to synthesize skipped 1,4-dienes.
Authors of publication	Shen, Cheng-Ping; Zhu, Hai-Tao; Li, Guo-Hua; Chang, Xin; Xi, Jia-Jun; Zhou, Ni-Ni; Zhou, An-Xi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	16
Pages of publication	3870 - 3874
a	9.2849 ± 0.0007 Å
b	21.4705 ± 0.0017 Å
c	12.8615 ± 0.0009 Å
α	90°
β	92.362 ± 0.003°
γ	90°
Cell volume	2561.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
301131 (current)	2025-07-06	cif/ Updating files of 7160406, 7160407, 7160408, 7160409, 7160410 Original log message: Adding full bibliography for 7160406--7160410.cif.	7160410.cif
298455	2025-03-15	cif/ Adding structures of 7160406, 7160407, 7160408, 7160409, 7160410 via cif-deposit CGI script.	7160410.cif