Crystallography Open Database

Information card for entry 7119150

7119149 << 7119150 >> 7119151

Preview

Coordinates	7119150.cif

Structure parameters

Formula	C20.45 H30.90 Na O14.46
Calculated formula	C20.454 H30.908 Na O14.461
SMILES	[C@H]1([C@H]([C@@H](O)[C@@H]([C@@H](CO)O1)O)O)Oc1ccc(cc1)O[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)[O-].[Na+].C1[C@H](C)O1.O.O
Title of publication	A saccharide-based crystalline sponge for hydrophilic guests
Authors of publication	Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	7013
a	6.6481 ± 0.0005 Å
b	24.625 ± 0.002 Å
c	14.756 ± 0.0012 Å
α	90°
β	102.798 ± 0.0009°
γ	90°
Cell volume	2355.7 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0454
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287753 (current)	2023-11-23	Fixing Z values and formulae	7119150.cif
185782	2016-08-12	cif/ Adding structures of 7119148, 7119149, 7119150, 7119151 via cif-deposit CGI script.	7119150.cif