Crystallography Open Database

Information card for entry 7241629

Preview

Coordinates	7241629.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NIGERICIN
Formula	C40 H68 O11
Calculated formula	C40 H70 O12
SMILES	O.O=C(O)[C@@H]([C@@H]1O[C@@H](C[C@H]2O[C@]3(O[C@]([C@@H]4O[C@]([C@@H]5O[C@@H]([C@H]6O[C@](O)([C@@H](C[C@@H]6C)C)CO)C[C@@H]5C)(CC4)C)(C[C@H]3C)C)[C@@H]([C@H](OC)C2)C)CC[C@@H]1C)C
Title of publication	Approach to nigericin derivatives and their therapeutic potential
Authors of publication	Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	70
Pages of publication	43085 - 43091
a	12.0282 ± 0.0003 Å
b	14.464 ± 0.0004 Å
c	24.0974 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4192.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
259347 (current)	2020-11-30	cif/ Adding structures of 7241628, 7241629 via cif-deposit CGI script.	7241629.cif