Crystallography Open Database

Information card for entry 4024968

Preview

Coordinates	4024968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Cl2
Calculated formula	C30 H20 Cl2
Title of publication	Cage Hydrocarbons Derived from Dibenzosuberenone
Authors of publication	Marcus Pillekamp; Wasim Alachraf; Iris M. Oppel; Gerald Dyker
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	8355 - 8358
a	8.9075 ± 0.0006 Å
b	15.35 ± 0.001 Å
c	31.4301 ± 0.0019 Å
α	90°
β	94.193 ± 0.005°
γ	90°
Cell volume	4285.9 ± 0.5 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	3
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	0.0739
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
178428 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/49.	4024968.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4024968.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4024968.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4024968.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4024968.cif