Crystallography Open Database

Information card for entry 1508277

Preview

Coordinates	1508277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 I O
Calculated formula	C23 H15 I O
SMILES	Ic1c2c3c(cccc3)C(O)(c2c2c(c1)cccc2)c1ccccc1
Title of publication	Novel silver tetrafluoroborate catalyzed electrophilic cascade cyclization reaction: a facile approach to the synthesis of halo-substituted benzo[a]fluorenols.
Authors of publication	Chen, Zhiyuan; Zeng, Mengjing; Yuan, Jianjun; Yang, Qin; Peng, Yiyuan
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	14
Pages of publication	3588 - 3591
a	18.199 ± 0.005 Å
b	26.703 ± 0.008 Å
c	7.364 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3578.7 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.2521
Weighted residual factors for all reflections included in the refinement	0.2632
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1508277.cif
113533	2014-05-13	cif/ Updating files of 1508277, 1508278 Original log message: Adding full bibliography for 1508277--1508278.cif.	1508277.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508277.cif
66265	2012-09-09	cif/ Adding structures of 1508277 via cif-deposit CGI script.	1508277.cif