Crystallography Open Database

Information card for entry 7158294

Preview

Coordinates	7158294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 N6 O12
Calculated formula	C24 H40 N6 O12
Title of publication	Hydrophilic and hydrophobic carboxamide pincers as anion hosts.
Authors of publication	Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	39
Pages of publication	8516 - 8520
a	11.0587 ± 0.0019 Å
b	14.955 ± 0.003 Å
c	8.8548 ± 0.0015 Å
α	90°
β	101.133 ± 0.002°
γ	90°
Cell volume	1436.9 ± 0.5 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1009
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
270506 (current)	2021-11-06	cif/ Updating files of 7158292, 7158293, 7158294 Original log message: Adding full bibliography for 7158292--7158294.cif.	7158294.cif
269080	2021-09-10	cif/ Adding structures of 7158292, 7158293, 7158294 via cif-deposit CGI script.	7158294.cif