Crystallography Open Database

Information card for entry 1507149

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Structure parameters

Formula	C15 H27 N O6
Calculated formula	C15 H27 N O6
SMILES	O=C(O)C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Title of publication	An Asymmetric Synthesis of l-Pyrrolysine.
Authors of publication	Wong, Margaret L.; Guzei, Ilia A.; Kiessling, Laura L.
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	6
Pages of publication	1378 - 1381
a	9.626 ± 0.0003 Å
b	10.836 ± 0.0004 Å
c	17.7861 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1855.22 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 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	0.0274
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Cu-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1507149.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507149.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1507149.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507149.cif
51881	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507149 via cif-deposit CGI script.	1507149.cif