Crystallography Open Database

Information card for entry 1505498

Preview

Coordinates	1505498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C177.9 H200.9 O12
Calculated formula	C177.9 H200.9 O12
Title of publication	Synthesis of a triply-bridged molecular gyroscope by a directed meridional cyclization strategy.
Authors of publication	Nuñez, Jose E; Natarajan, Arunkumar; Khan, Saeed I.; Garcia-Garibay, Miguel A
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	18
Pages of publication	3559 - 3561
a	11.6972 ± 0.0016 Å
b	18.122 ± 0.003 Å
c	18.781 ± 0.003 Å
α	111.384 ± 0.002°
β	96.243 ± 0.001°
γ	90.948 ± 0.001°
Cell volume	3678.3 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505498.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505498.cif
45672	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505498 via cif-deposit CGI script.	1505498.cif