Crystallography Open Database

Information card for entry 1557371

Preview

Coordinates	1557371.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(R)-2-hydroxy-2?-(2-pyridylmethyloxy)-3-formyl-1,1?-binaphthalene
Formula	C27 H19 N O3
Calculated formula	C27 H19 N O3
SMILES	O=Cc1cc2ccccc2c(c1O)c1c2ccccc2ccc1OCc1ncccc1
Title of publication	Accurate chiral pattern recognition for amines from just a single chemosensor
Authors of publication	Sasaki, Yui; Kojima, Soya; Hamedpour, Vahid; Kubota, Riku; Takizawa, Shin-ya; Yoshikawa, Isao; Houjou, Hirohiko; Kubo, Yuji; Minami, Tsuyoshi
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	15
Pages of publication	3790 - 3796
a	7.1378 ± 0.0002 Å
b	9.8466 ± 0.0002 Å
c	14.7942 ± 0.0003 Å
α	88.9786 ± 0.0016°
β	79.0044 ± 0.0017°
γ	74.6213 ± 0.0019°
Cell volume	983.56 ± 0.04 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257387 (current)	2020-10-06	cif/ Updating files of 1557371 Original log message: Adding full bibliography for 1557371.cif.	1557371.cif
251612	2020-05-05	cif/ Updating files of 1557371 Original log message: Adding full bibliography for 1557371.cif.	1557371.cif
248426	2020-02-25	cif/ Adding structures of 1557371 via cif-deposit CGI script.	1557371.cif