Crystallography Open Database

Information card for entry 7235617

Preview

Coordinates	7235617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 O6
Calculated formula	C26 H28 O6
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	18.839 ± 0.0008 Å
b	13.5066 ± 0.0006 Å
c	9.0088 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2292.3 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296814 (current)	2024-12-10	Changed data name '_diffrn_reflns_point_group_measured_fraction_ful' to '_diffrn_reflns_point_group_measured_fraction_full' in multiple entries.	7235617.cif
233177	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.	7235617.cif