Crystallography Open Database

Information card for entry 7125714

Preview

Coordinates	7125714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H42 Cl N O3
Calculated formula	C41 H42 Cl N O3
Title of publication	Catalytic asymmetric [4+2] cycloaddition of 1-((2-aryl)vinyl)naphthalen-2-ols with in situ generated ortho-quinone methides for the synthesis of polysubstituted chromanes.
Authors of publication	You, Yong; Li, Ting-Ting; Yuan, Shu-Pei; Xie, Ke-Xin; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	3
Pages of publication	439 - 442
a	11.8441 ± 0.0007 Å
b	10.6009 ± 0.0008 Å
c	15.1947 ± 0.0009 Å
α	90°
β	103.393 ± 0.006°
γ	90°
Cell volume	1855.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
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
246447 (current)	2020-01-03	cif/ Adding structures of 7125713, 7125714 via cif-deposit CGI script.	7125714.cif