Crystallography Open Database

Information card for entry 7058178

Preview

Coordinates	7058178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H23 N O4
Calculated formula	C13 H23 N O4
Title of publication	Intertwined gababutin-based supramolecular double helix
Authors of publication	Konda, Maruthi; Ghosh, Tapas; Mobin, Shaikh M.; Das, Apurba K.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	12
Pages of publication	4830
a	11.6825 ± 0.0007 Å
b	11.2969 ± 0.0005 Å
c	11.8091 ± 0.0008 Å
α	90°
β	110.399 ± 0.007°
γ	90°
Cell volume	1460.78 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.1902
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
224993 (current)	2019-11-08	cif/ Updating files of 7058178, 7058179, 7058180 Original log message: Adding full bibliography for 7058178--7058180.cif.	7058178.cif
213680	2019-02-16	cif/ Adding structures of 7058178, 7058179, 7058180 via cif-deposit CGI script.	7058178.cif