Crystallography Open Database

Information card for entry 4101980

4101979 << 4101980 >> 4101981

Preview

Coordinates	4101980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Br O7
Calculated formula	C23 H23 Br O7
Title of publication	Development of a Convergent Entry to the Diazofluorene Antitumor Antibiotics: Enantioselective Synthesis of Kinamycin F
Authors of publication	Christina M. Woo; Liang Lu; Shivajirao L. Gholap; Devin R. Smith; Seth B. Herzon
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2540 - 2541
a	5.4308 ± 0.0009 Å
b	15.24 ± 0.003 Å
c	12.964 ± 0.002 Å
α	90°
β	98.362 ± 0.003°
γ	90°
Cell volume	1061.6 ± 0.3 Å³
Cell temperature	223.1 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	0.049
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4101980.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101980.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101980.cif
24799	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101980 via cif-deposit CGI script.	4101980.cif