Crystallography Open Database

Information card for entry 7226886

Preview

Coordinates	7226886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N2 O5
Calculated formula	C30 H30 N2 O5
SMILES	c1(cc2C(=O)N(C3CCCCCC3)C(=O)c2cc1)Oc1cc2c(cc1)C(=O)N(C2=O)C1CCCCCC1
Title of publication	V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement
Authors of publication	Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	3
Pages of publication	419
a	32.3856 ± 0.0016 Å
b	5.3119 ± 0.0002 Å
c	15.6793 ± 0.0008 Å
α	90°
β	110.527 ± 0.003°
γ	90°
Cell volume	2526 ± 0.2 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	0.0952
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.2056
Weighted residual factors for all reflections included in the refinement	0.236
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
191562 (current)	2017-02-04	cif/ Updating files of 7226883, 7226884, 7226885, 7226886, 7226887 Original log message: Adding full bibliography for 7226883--7226887.cif.	7226886.cif
187532	2016-10-25	cif/ Adding structures of 7226883, 7226884, 7226885, 7226886, 7226887 via cif-deposit CGI script.	7226886.cif