Crystallography Open Database

Information card for entry 4115700

Preview

Coordinates	4115700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H112 Cl4 N7 O2.75 P
Calculated formula	C100 H95 Cl4 N7 O2.75 P
Title of publication	Synthesis of the First Corrolazine: A New Member of the Porphyrinoid Family
Authors of publication	Bobby Ramdhanie; Charlotte L. Stern; David P. Goldberg
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	9447 - 9448
a	15.874 ± 0.004 Å
b	23.28 ± 0.005 Å
c	25.807 ± 0.006 Å
α	90°
β	104.793 ± 0.004°
γ	90°
Cell volume	9221 ± 4 Å³
Cell temperature	153.2 K
Ambient diffraction temperature	153.2 K
Number of distinct elements	6
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	0.3224
Residual factor for significantly intense reflections	0.125
Weighted residual factors for all reflections	0.206
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections	1.443
Goodness-of-fit parameter for all reflections included in the refinement	3.2
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115700.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115700.cif
69422	2012-12-14	cif/ Adding structures of 4115700 via cif-deposit CGI script.	4115700.cif