Crystallography Open Database

Information card for entry 7153492

Preview

Coordinates	7153492.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno(2,1- a)fluoren-11-one
Chemical name	12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno[2,1-a]fluoren-11-one
Formula	C20 H15 N O2
Calculated formula	C20 H15 N O2
SMILES	O[C@@H]1c2c(cccc2)C2=C(C)C=C3N(C(=O)c4ccccc34)[C@@H]12
Title of publication	Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.
Authors of publication	Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	21
Pages of publication	4815 - 4818
a	4.0331 ± 0.00007 Å
b	15.7754 ± 0.0002 Å
c	22.1253 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1407.69 ± 0.04 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.209
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
180320 (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 7/15/34.	7153492.cif
93797	2014-01-13	cif/ Adding structures of 7153491, 7153492, 7153493 via cif-deposit CGI script.	7153492.cif