Crystallography Open Database

Information card for entry 7158262

Preview

Coordinates	7158262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 O
Calculated formula	C33 H32 O
Title of publication	TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.
Authors of publication	Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	36
Pages of publication	7883 - 7893
a	36.302 ± 0.008 Å
b	17.985 ± 0.004 Å
c	8.873 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5793 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.06 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1704
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2551
Weighted residual factors for all reflections included in the refinement	0.3205
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269779 (current)	2021-10-06	cif/ Updating files of 7158262, 7158263 Original log message: Adding full bibliography for 7158262--7158263.cif.	7158262.cif
268196	2021-08-25	cif/ Adding structures of 7158262, 7158263 via cif-deposit CGI script.	7158262.cif