Crystallography Open Database

Information card for entry 7159126

Preview

Coordinates	7159126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H64 N16
Calculated formula	C96 H64 N16
Title of publication	Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.
Authors of publication	Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	14
Pages of publication	2889 - 2893
a	22.7717 ± 0.0003 Å
b	10.3216 ± 0.0002 Å
c	30.7588 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7229.6 ± 0.2 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1213
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
283456 (current)	2023-05-05	cif/ Updating files of 7159126, 7159127, 7159128, 7159129 Original log message: Adding full bibliography for 7159126--7159129.cif.	7159126.cif
280685	2023-01-31	cif/ Adding structures of 7159126, 7159127, 7159128, 7159129 via cif-deposit CGI script.	7159126.cif