Crystallography Open Database

Information card for entry 1503163

Preview

Coordinates	1503163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H45 N2 O7.5
Calculated formula	C46 H45 N2 O7.5
Title of publication	Aziridinomitosanes via lactam cyclization.
Authors of publication	Wiedner, Susan D.; Vedejs, Edwin
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	18
Pages of publication	4030 - 4033
a	12.8063 ± 0.0005 Å
b	13.3599 ± 0.0005 Å
c	48.7876 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	8347.1 ± 0.6 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	4
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	0.0667
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503163.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503163.cif
37052	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503162, 1503163 via cif-deposit CGI script.	1503163.cif