Crystallography Open Database

Information card for entry 7242340

Preview

Coordinates	7242340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H17 O4.5
Calculated formula	C8 H17 O4.5
SMILES	[C@@H]1(CC[C@H]([C@H]([C@H]([C@@H]1O)O)O)O)C.O
Title of publication	Synthesis of novel seven-membered carbasugars and evaluation of their glycosidase inhibition potentials
Authors of publication	Athiyarath, Vignesh; Roy, Naveen J.; Vijil, A. T. V.; Sureshan, Kana M.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	16
Pages of publication	9410 - 9420
a	14.4368 ± 0.0011 Å
b	4.9452 ± 0.0004 Å
c	12.9747 ± 0.001 Å
α	90°
β	94.74 ± 0.004°
γ	90°
Cell volume	923.13 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7242340.cif
262379	2021-03-03	cif/ Adding structures of 7242340, 7242341 via cif-deposit CGI script.	7242340.cif