Crystallography Open Database

Information card for entry 1511943

1511942 << 1511943 >> 1511944

Preview

Coordinates	1511943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C207 H78 O12
Calculated formula	C207 H70 O12
Title of publication	Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts
Authors of publication	Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	9
Pages of publication	2164
a	22.459 ± 0.003 Å
b	22.459 ± 0.003 Å
c	25.656 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	12941 ± 4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.215
Weighted residual factors for all reflections included in the refinement	0.2179
Goodness-of-fit parameter for all reflections included in the refinement	1.254
Diffraction radiation wavelength	0.75 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	1511943.cif
85830	2013-05-07	cif/ Adding structures of 1511943 via cif-deposit CGI script.	1511943.cif