Crystallography Open Database

Information card for entry 4032438

Preview

Coordinates	4032438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H37.66 N9 O4.66
Calculated formula	C24 H35 N9 O4.6645
Title of publication	Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.
Authors of publication	Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	8
Pages of publication	4203 - 4215
a	23.3708 ± 0.0009 Å
b	14.0581 ± 0.0006 Å
c	16.9479 ± 0.0007 Å
α	90°
β	93.186 ± 0.002°
γ	90°
Cell volume	5559.6 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
196143 (current)	2017-05-05	cif/ Updating files of 4032437, 4032438, 4032439, 4032440 Original log message: Adding full bibliography for 4032437--4032440.cif.	4032438.cif
195425	2017-04-14	cif/ Adding structures of 4032437, 4032438, 4032439, 4032440 via cif-deposit CGI script.	4032438.cif