Crystallography Open Database

Information card for entry 7117431

Preview

Coordinates	7117431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 N O
Calculated formula	C26 H21 N O
SMILES	O[C@H](c1ccccc1)[C@@H](/N=C/c1c2c3c(cc1)ccc1c3c(cc2)ccc1)C.O[C@@H](c1ccccc1)[C@H](/N=C/c1c2c3c(cc1)ccc1c3c(cc2)ccc1)C
Title of publication	Lysine triggered ratiometric conversion of dynamic to static excimer of a pyrene derivative: aggregation-induced emission, nanomolar detection and human breast cancer cell (MCF7) imaging
Authors of publication	Ghosh, Abhijit; Sengupta, Archya; Chattopadhyay, Ansuman; Das, Debasis
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2015
Journal volume	51
Journal issue	57
Pages of publication	11455 - 11458
a	28.0546 ± 0.0017 Å
b	9.681 ± 0.0005 Å
c	15.0716 ± 0.0008 Å
α	90°
β	109.781 ± 0.006°
γ	90°
Cell volume	3851.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7117413
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210997 (current)	2018-09-15	cif/7/11/74/ Updating bibliography in entries 7117413, 7117431. Marking entry 7117431 as a duplicate of entry 7117413.	7117431.cif
140300	2015-07-06	cif/ Adding structures of 7117431 via cif-deposit CGI script.	7117431.cif