Crystallography Open Database

Information card for entry 7235622

Preview

Coordinates	7235622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 O5 S
Calculated formula	C24 H26 O5 S
Title of publication	Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit
Authors of publication	Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	36
Pages of publication	18904
a	9.5532 ± 0.0005 Å
b	24.2453 ± 0.0013 Å
c	9.5232 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2205.77 ± 0.19 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1507
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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/7235622.html