Crystallography Open Database

Information card for entry 7226883

Preview

Coordinates	7226883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O7
Calculated formula	C22 H20 N2 O7
SMILES	c1(ccc2c(c1)C(=O)N(C2=O)CCCO)Oc1ccc2c(c1)C(=O)N(C2=O)CCCO
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	16.685 ± 0.0005 Å
b	5.027 ± 0.0002 Å
c	22.863 ± 0.0007 Å
α	90°
β	96.02 ± 0.002°
γ	90°
Cell volume	1907.07 ± 0.11 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	0.0421
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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