Crystallography Open Database

Information card for entry 7152374

Preview

Coordinates	7152374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 N O5 P
Calculated formula	C23 H20 N O5 P
SMILES	c1(c2c(cccc2)n2c1c1cccc3c1c(c2=O)ccc3)OP(=O)(OCC)OCC
Title of publication	A novel approach to isoindolo[2,1-a]indol-6-ones.
Authors of publication	Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	21
Pages of publication	4266 - 4279
a	22.2526 ± 0.0005 Å
b	7.0132 ± 0.0002 Å
c	25.1963 ± 0.0006 Å
α	90°
β	106.297 ± 0.002°
γ	90°
Cell volume	3774.19 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
180309 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/23.	7152374.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152374.cif
60485	2012-06-14	cif/ Adding structures of 7152373, 7152374, 7152375, 7152376 via cif-deposit CGI script.	7152374.cif