Crystallography Open Database

Information card for entry 7058179

Preview

Coordinates	7058179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H N O
Calculated formula	C1.78947 H3.15789 N0.210526 O0.526316
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	9.4628 ± 0.0015 Å
b	10.1211 ± 0.0016 Å
c	10.7468 ± 0.0017 Å
α	90°
β	108.784 ± 0.004°
γ	90°
Cell volume	974.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	7058179.cif
213680	2019-02-16	cif/ Adding structures of 7058178, 7058179, 7058180 via cif-deposit CGI script.	7058179.cif