Crystallography Open Database

Information card for entry 1545581

Preview

Coordinates	1545581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H10 O5
Calculated formula	C7 H10 O5
SMILES	C1(=O)OC[C@@H]2[C@@H](C[C@H](O2)OC)O1
Title of publication	Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose
Authors of publication	Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine
Journal of publication	Polym. Chem.
Year of publication	2017
Journal volume	8
Journal issue	13
Pages of publication	2093
a	5.8577 ± 0.0001 Å
b	11.0062 ± 0.0001 Å
c	11.8828 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	766.096 ± 0.016 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0239
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195190 (current)	2017-04-05	cif/ Updating files of 1545580, 1545581 Original log message: Adding full bibliography for 1545580--1545581.cif.	1545581.cif
194292	2017-03-16	cif/ Adding structures of 1545580, 1545581 via cif-deposit CGI script.	1545581.cif