Crystallography Open Database

Information card for entry 1570481

Preview

Coordinates	1570481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 N O4
Calculated formula	C32 H33 N O4
SMILES	O(c1ccc2n(cc(c2c1)[C@](c1ccc(O)cc1)(c1c(OC)cccc1)c1ccc(cc1)C)C)C.OC
Title of publication	Primary activation of <i>para</i>-quinone methides by chiral phosphoric acid for enantioselective construction of tetraarylmethanes.
Authors of publication	Han, Zhengyu; Zhu, Biao; Zang, Yu; Zhang, Chaoshen; Dong, Xiu-Qin; Huang, Hai; Sun, Jianwei
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	2
Pages of publication	720 - 725
a	13.02736 ± 0.00013 Å
b	7.6261 ± 0.00007 Å
c	13.31312 ± 0.00013 Å
α	90°
β	97.9813 ± 0.0009°
γ	90°
Cell volume	1309.82 ± 0.02 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0256
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
289416 (current)	2024-02-04	cif/ Updating files of 1570481 Original log message: Adding full bibliography for 1570481.cif.	1570481.cif
287947	2023-12-03	cif/ Adding structures of 1570481 via cif-deposit CGI script.	1570481.cif