Crystallography Open Database

Information card for entry 7156002

Preview

Coordinates	7156002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N5 O7
Calculated formula	C25 H21 N5 O7
SMILES	O(CC)C(=O)C1=C(NC(=C(C21C(=O)Nc1ccccc21)C#N)Nc1cc(N(=O)=O)ccc1)C(=O)OCC
Title of publication	I<sub>2</sub> catalyzed access of spiro[indoline-3,4'-pyridine] appended amine dyad: new ON-OFF chemosensors for Cu<sup>2+</sup> and imaging in living cells.
Authors of publication	Mondal, Animesh; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	2
Pages of publication	302 - 315
a	9.337 ± 0.003 Å
b	10.612 ± 0.004 Å
c	13.512 ± 0.005 Å
α	71.627 ± 0.004°
β	81.23 ± 0.005°
γ	72.359 ± 0.005°
Cell volume	1208.4 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0874
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	0.718
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
230716 (current)	2019-11-17	cif/ Updating files of 7156002 Original log message: Adding full bibliography for 7156002.cif.	7156002.cif
203859	2017-12-01	cif/ Adding structures of 7156002 via cif-deposit CGI script.	7156002.cif