Crystallography Open Database

Information card for entry 1515411

Preview

Coordinates	1515411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30
Calculated formula	C21 H30
SMILES	C1(CC1)C1(CC1)C1(CC1)C1(CC1)C1(CC1)C1(CC1)C1CC1
Title of publication	Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes
Authors of publication	Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	2
Pages of publication	229
a	9.5922 ± 0.0005 Å
b	7.2501 ± 0.0004 Å
c	24.0793 ± 0.0012 Å
α	90°
β	95.81 ± 0.002°
γ	90°
Cell volume	1665.98 ± 0.15 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1161
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for all reflections	0.1134
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	0.9114
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.	1515411.cif
111802	2014-04-28	cif/ Adding structures of 1515411, 1515412 via cif-deposit CGI script.	1515411.cif