Crystallography Open Database

Information card for entry 1568443

Preview

Coordinates	1568443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 Br P
Calculated formula	C21 H22 Br P
SMILES	[Br-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C(C)C
Title of publication	Beyond the TPP<sup>+</sup> "gold standard": a new generation mitochondrial delivery vector based on extended PN frameworks.
Authors of publication	Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	15
Pages of publication	4126 - 4133
a	10.6424 ± 0.0012 Å
b	12.4166 ± 0.0015 Å
c	14.4706 ± 0.0017 Å
α	90°
β	93.167 ± 0.004°
γ	90°
Cell volume	1909.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
283188 (current)	2023-05-05	cif/ Updating files of 1568442, 1568443, 1568444, 1568445 Original log message: Adding full bibliography for 1568442--1568445.cif.	1568443.cif
280961	2023-02-20	cif/ Adding structures of 1568442, 1568443, 1568444, 1568445 via cif-deposit CGI script.	1568443.cif