Crystallography Open Database

Information card for entry 1503264

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Structure parameters

Formula	C26 H34 N2 O5
Calculated formula	C26 H34 N2 O5
SMILES	O(C(C)(C)C)C(=O)N1[C@@H](C[C@]23[C@H]1c1oc4CCC#CCCCCN(C3)C(=O)C[C@@H]2c1c4)CO
Title of publication	Total synthesis of (-)-nakadomarin A.
Authors of publication	Nilson, Mark G.; Funk, Raymond L.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	21
Pages of publication	4912 - 4915
a	9.212 ± 0.004 Å
b	10.137 ± 0.004 Å
c	25.14 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	2347.6 ± 1.7 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.1394
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.2033
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
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.	1503264.cif
176729	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.	1503264.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503264.cif
37141	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503264 via cif-deposit CGI script.	1503264.cif