Crystallography Open Database

Information card for entry 1571490

Preview

Coordinates	1571490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 O
Calculated formula	C22 H20 O
SMILES	O[C@]1(c2c(c(ccc2)C)c2c1c(ccc2)C)c1c(C)cccc1
Title of publication	Enantioconvergent synthesis of chiral fluorenols from racemic secondary alcohols <i>via</i> Pd(ii)/chiral norbornene cooperative catalysis.
Authors of publication	Ding, Bo; Xue, Qilin; Wei, Han; Chen, Jiangwei; Liu, Ze-Shui; Cheng, Hong-Gang; Cong, Hengjiang; Tang, Jianting; Zhou, Qianghui
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	21
Pages of publication	7975 - 7981
a	7.7777 ± 0.0003 Å
b	8.0764 ± 0.0003 Å
c	25.7905 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1620.05 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
292935 (current)	2024-07-05	cif/ Updating files of 1571490, 1571491 Original log message: Adding full bibliography for 1571490--1571491.cif.	1571490.cif
291367	2024-04-27	cif/ Adding structures of 1571490, 1571491 via cif-deposit CGI script.	1571490.cif