Crystallography Open Database

Information card for entry 1571491

Preview

Coordinates	1571491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 O2
Calculated formula	C17 H18 O2
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	12.2029 ± 0.0001 Å
b	12.207 ± 0.0001 Å
c	20.231 ± 0.0002 Å
α	106.041 ± 0.001°
β	106.066 ± 0.001°
γ	90.658 ± 0.001°
Cell volume	2770.52 ± 0.05 Å³
Cell temperature	296.88 ± 0.15 K
Ambient diffraction temperature	296.88 ± 0.15 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
292935 (current)	2024-07-05	cif/ Updating files of 1571490, 1571491 Original log message: Adding full bibliography for 1571490--1571491.cif.	1571491.cif
291367	2024-04-27	cif/ Adding structures of 1571490, 1571491 via cif-deposit CGI script.	1571491.cif