Crystallography Open Database

Information card for entry 1508933

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Structure parameters

Formula	C9 H12 N2 O4
Calculated formula	C9 H12 N2 O4
SMILES	O(C(=O)NC(=O)C1=CCCN(C1=O)C)C
Title of publication	Catalytic Asymmetric [4 + 2] Cycloadditions and Hosomi-Sakurai Reactions of α-Alkylidene β-Keto Imides.
Authors of publication	Orimoto, Kohei; Oyama, Harufumi; Namera, Yuki; Niwa, Takashi; Nakada, Masahisa
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	4
Pages of publication	768 - 771
a	7.7215 ± 0.0003 Å
b	7.90305 ± 0.00019 Å
c	16.5104 ± 0.0004 Å
α	90°
β	101.898 ± 0.0016°
γ	90°
Cell volume	985.87 ± 0.05 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	1508933.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.	1508933.cif
75489	2013-03-10	cif/ Adding structures of 1508933 via cif-deposit CGI script.	1508933.cif