Crystallography Open Database

Information card for entry 1555105

Preview

Coordinates	1555105.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3a<i>R</i>,3b<i>R</i>,6a<i>S</i>,7a<i>R</i>)-hexahydrodifuro[2,3-<i>b</i>:3',2'-<i>d</i>]furan-2(3<i>H</i>)-one
Formula	C8 H10 O4
Calculated formula	C8 H10 O4
SMILES	O1[C@H]2O[C@@H]3OC(=O)C[C@@H]3[C@H]2CC1.O1[C@@H]2O[C@H]3OC(=O)C[C@H]3[C@@H]2CC1
Title of publication	Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.
Authors of publication	Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3604 - 3607
a	10.571 ± 0.006 Å
b	5.838 ± 0.003 Å
c	12.338 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	761.4 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238325 (current)	2019-11-24	cif/ Adding structures of 1555105, 1555106, 1555107, 1555108, 1555109 via cif-deposit CGI script.	1555105.cif