Crystallography Open Database

Information card for entry 1503162

Preview

Coordinates	1503162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H106 N8 O9
Calculated formula	C124 H106 N8 O9
SMILES	O=C1[C@]2(O)N(C[C@@H]3N([C@H]23)C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c1cccc2.O(CC)CC
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	20.312 ± 0.0009 Å
b	9.5308 ± 0.0004 Å
c	26.2849 ± 0.0012 Å
α	90°
β	107.355 ± 0.001°
γ	90°
Cell volume	4856.8 ± 0.4 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503162.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503162.cif
37052	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503162, 1503163 via cif-deposit CGI script.	1503162.cif