Crystallography Open Database

Information card for entry 7158467

Preview

Coordinates	7158467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.8 H99.2 N12 O33.4 S6.2
Calculated formula	C48.7596 H99.0384 N12 O33.4796 S6.24
Title of publication	Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.
Authors of publication	Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	5
Pages of publication	1080 - 1094
a	14.793 ± 0.003 Å
b	17.86 ± 0.003 Å
c	26.56 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7017 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1557
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
272757 (current)	2022-02-04	cif/ Updating files of 7158467, 7158468, 7158469, 7158470 Original log message: Adding full bibliography for 7158467--7158470.cif.	7158467.cif
271614	2021-12-24	cif/ Adding structures of 7158467, 7158468, 7158469, 7158470 via cif-deposit CGI script.	7158467.cif