Crystallography Open Database

Information card for entry 4026063

Preview

Coordinates	4026063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.28 H80.47 N11 O13.5
Calculated formula	C45.26 H80.44 N11 O13.5
Title of publication	Stapling of a 310-Helix with Click Chemistry
Authors of publication	Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	1228 - 1238
a	36.417 ± 0.012 Å
b	13.382 ± 0.005 Å
c	11.873 ± 0.004 Å
α	90°
β	102.36 ± 0.004°
γ	90°
Cell volume	5652 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 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	0.0489
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4026063.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026063.cif
37475	2012-03-02	../uploads/cif-deposit/cod/cif Adding structures of 4026063 via cif-deposit CGI script.	4026063.cif