Crystallography Open Database

Information card for entry 7111200

Preview

Coordinates	7111200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H50 Br N O8
Calculated formula	C47 H50 Br N O8
Title of publication	Synthesis of mixed heterocalixarenes from benzofuranyl methanols and activated indoles
Authors of publication	Black, David StC; Craig, Donald C.; Rezaie, Robert
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	8
Pages of publication	810
a	14.222 ± 0.004 Å
b	23.339 ± 0.004 Å
c	13.043 ± 0.004 Å
α	90°
β	106.52 ± 0.01°
γ	90°
Cell volume	4150.6 ± 1.9 Å³
Cell temperature	294 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	2.57
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296815 (current)	2024-12-10	Changed data names '_diffrn_reflns_{h,k,l}_min', '_diffrn_reflns_{h,k,l}_max', '_exptl_absorpt_correction_t-min' and '_exptl_absorpt_correction_t-max' to '_diffrn_reflns_limit_{h,k,l}_min', '_diffrn_reflns_{h,k,l}_max', '_exptl_absorpt_correction_T_min' and '_exptl_absorpt_correction_T_max' respectively in multiple entries.	7111200.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111200.cif
96346	2014-01-29	cif/ Adding structures of 7111199, 7111200 via cif-deposit CGI script.	7111200.cif