Crystallography Open Database

Information card for entry 4116653

Preview

Coordinates	4116653.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	O-(9-nitro-9-fluorenyl)fluorenone oxime
Formula	C26 H16 N2 O3
Calculated formula	C26 H16 N2 O3
Title of publication	Models of Nitric Oxide Synthase: Iron(III) Porphyrin-Catalyzed Oxidation of Fluorenone Oxime to Nitric Oxide and Fluorenone
Authors of publication	Wang, Charles C.-Y.; M. Ho, Douglas; Groves, John T.
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Journal issue	51
Pages of publication	12094 - 12103
a	9.8776 ± 0.0006 Å
b	11.9206 ± 0.0006 Å
c	17.4262 ± 0.0012 Å
α	90°
β	101.55 ± 0.003°
γ	90°
Cell volume	2010.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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 all reflections	0.0772
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for all reflections	0.1529
Weighted residual factors for significantly intense reflections	0.1407
Goodness-of-fit parameter for all reflections	1.092
Goodness-of-fit parameter for significantly intense reflections	1.203
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270161 (current)	2021-10-29	cif/4/11/66/ Updated bibliographic information in entries 4116652-4116653.	4116653.cif
178937	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/66.	4116653.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4116653.cif
72783	2013-01-27	cif/ Adding structures of 4116653 via cif-deposit CGI script.	4116653.cif