Crystallography Open Database

Information card for entry 7157188

Preview

Coordinates	7157188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 Br O3
Calculated formula	C12 H13 Br O3
Title of publication	Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.
Authors of publication	Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	31
Pages of publication	7398 - 7407
a	5.845 ± 0.0005 Å
b	7.6852 ± 0.0006 Å
c	12.8843 ± 0.001 Å
α	90°
β	100.457 ± 0.008°
γ	90°
Cell volume	569.15 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0541
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7157188.html