Crystallography Open Database

Information card for entry 1505827

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Structure parameters

Formula	C27 H33 N O
Calculated formula	C27 H33 N O
SMILES	O([C@H]1C[C@@H](n2c1c(c1ccccc21)C1CCCCC1)c1ccccc1)C(C)(C)C.O([C@@H]1C[C@H](n2c1c(c1ccccc21)C1CCCCC1)c1ccccc1)C(C)(C)C
Title of publication	Pt(II)- or Au(III)-catalyzed [3+2] cycloaddition of metal-containing azomethine ylides: highly efficient synthesis of the mitosene skeleton.
Authors of publication	Kusama, Hiroyuki; Miyashita, Yuichi; Takaya, Jun; Iwasawa, Nobuharu
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	2
Pages of publication	289 - 292
a	10.73 ± 0.01 Å
b	12.94 ± 0.02 Å
c	16.36 ± 0.02 Å
α	90°
β	93.7 ± 0.06°
γ	90°
Cell volume	2267 ± 5 Å³
Cell temperature	223.2 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	0.0564
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	0.919
Diffraction radiation wavelength	0.7107 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.	1505827.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.	1505827.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505827.cif
47772	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505827 via cif-deposit CGI script.	1505827.cif