Crystallography Open Database

Information card for entry 7117440

Preview

Coordinates	7117440.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CDME
Formula	C22 H17 N O4
Calculated formula	C22 H17 N O4
SMILES	n1(c2ccccc2c2ccccc12)c1cc(cc(c1)C(=O)OC)C(=O)OC
Title of publication	A supramolecular approach for designing emissive solid-state carbazole arrays.
Authors of publication	Lifshits, Liubov M.; Noll, Bruce C.; Klosterman, Jeremy K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	58
Pages of publication	11603 - 11606
a	7.3977 ± 0.0005 Å
b	11.6656 ± 0.0007 Å
c	20.3981 ± 0.0013 Å
α	76.247 ± 0.003°
β	83.564 ± 0.003°
γ	88.301 ± 0.004°
Cell volume	1699.07 ± 0.19 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0645
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
141476 (current)	2015-07-09	cif/ Adding structures of 7117440, 7117441, 7117442, 7117443 via cif-deposit CGI script.	7117440.cif