Crystallography Open Database

Information card for entry 7061685

Preview

Coordinates	7061685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H44 N2 O6
Calculated formula	C64 H44 N2 O6
SMILES	O(c1cc(N(c2ccccc2)c2ccccc2)ccc1C=C1C(=O)c2ccccc2C1=O)Cc1ccccc1COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C1C(=O)c2ccccc2C1=O
Title of publication	Dark to bright fluorescence state by inter-connecting fluorophores: concentration-dependent blue to NIR emission and live cell imaging applications
Authors of publication	Gayathri, Parthasarathy; Subramaniyan, Siva Bala; Veerappan, Anbazhagan; Anwarhussaini, Syed; Jayanty, Subbalakshmi; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	34
Pages of publication	16409 - 16418
a	11.796 ± 0.002 Å
b	12.213 ± 0.002 Å
c	16.518 ± 0.003 Å
α	91.35 ± 0.03°
β	94.15 ± 0.03°
γ	93.85 ± 0.03°
Cell volume	2367.1 ± 0.7 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3367
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2373
Weighted residual factors for all reflections included in the refinement	0.322
Goodness-of-fit parameter for all reflections included in the refinement	0.72
Diffraction radiation wavelength	0.61 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277679 (current)	2022-09-06	cif/ Updating files of 7061685 Original log message: Adding full bibliography for 7061685.cif.	7061685.cif
277033	2022-08-02	cif/ Adding structures of 7061685 via cif-deposit CGI script.	7061685.cif