Crystallography Open Database

Information card for entry 7235620

Preview

Coordinates	7235620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 O5
Calculated formula	C30 H32 O5
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	8.6914 ± 0.0009 Å
b	12.4846 ± 0.0014 Å
c	25.241 ± 0.003 Å
α	77.626 ± 0.003°
β	87.992 ± 0.004°
γ	79.519 ± 0.004°
Cell volume	2630.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2986
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.2264
Goodness-of-fit parameter for all reflections included in the refinement	0.906
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233177 (current)	2019-11-23	cif/ Adding structures of 7235610, 7235611, 7235612, 7235613, 7235614, 7235615, 7235616, 7235617, 7235618, 7235619, 7235620, 7235621, 7235622, 7235623 via cif-deposit CGI script.	7235620.cif