Crystallography Open Database

Information card for entry 1504480

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Structure parameters

Formula	C24 H27 N O4
Calculated formula	C24 H27 N O4
SMILES	O=C1N2[C@]3(CC1)[C@](O)(C(=C\c1ccccc1)\C[C@@H]3CCCC2)C#CC(=O)OCC.O=C1N2[C@@]3(CC1)[C@@](O)(C(=C\c1ccccc1)\C[C@H]3CCCC2)C#CC(=O)OCC
Title of publication	Total synthesis of (+/-)-stemonamide and (+/-)-isostemonamide using a radical cascade.
Authors of publication	Taniguchi, Tsuyoshi; Tanabe, Genzo; Muraoka, Osamu; Ishibashi, Hiroyuki
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	2
Pages of publication	197 - 199
a	12.0827 ± 0.0005 Å
b	12.7749 ± 0.0005 Å
c	13.3591 ± 0.0008 Å
α	90°
β	105.089 ± 0.003°
γ	90°
Cell volume	1990.95 ± 0.17 Å³
Cell temperature	123.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	0.889
Diffraction radiation wavelength	0.71075 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.	1504480.cif
176435	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.	1504480.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504480.cif
42099	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504480 via cif-deposit CGI script.	1504480.cif