Crystallography Open Database

Information card for entry 4113016

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Structure parameters

Formula	C30 H18 N4 O6
Calculated formula	C30 H18 N4 O6
SMILES	c1(ccc(cc1)N1C(=O)C=CC1=O)N(c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(cc1)N1C(=O)C=CC1=O
Title of publication	Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior
Authors of publication	Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	12200 - 12201
a	15.195 ± 0.003 Å
b	12.41 ± 0.003 Å
c	12.884 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2429.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0944
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4113016.cif
178901	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/30.	4113016.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113016.cif
65436	2012-09-05	cif/ Adding structures of 4113016 via cif-deposit CGI script.	4113016.cif