Crystallography Open Database

Information card for entry 1505936

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Structure parameters

Formula	C21 H24 N2 O9
Calculated formula	C21 H24 N2 O9
SMILES	O1[C@@H](COC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)C[C@H](C)[C@]21[C@@H]1CC(=O)OC[C@@]1(C)CC2
Title of publication	Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.
Authors of publication	Noguchi, Naoyoshi; Nakada, Masahisa
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	10
Pages of publication	2039 - 2042
a	7.005 ± 0.002 Å
b	9.105 ± 0.003 Å
c	16.371 ± 0.006 Å
α	90°
β	93.84 ± 0.01°
γ	90°
Cell volume	1041.8 ± 0.6 Å³
Cell temperature	123.1 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 significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
201954 (current)	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.	1505936.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.	1505936.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505936.cif
47865	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505936 via cif-deposit CGI script.	1505936.cif