Crystallography Open Database

Information card for entry 1502139

Preview

Coordinates	1502139.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6,10-dimethyl-15b-phosphanaphtho[1,8-ab]perylene
Formula	C28 H19 P
Calculated formula	C28 H19 P
SMILES	c12c3cccc1c1c4c(P2c2c5c3c(ccc5ccc2)C)cccc4ccc1C
Title of publication	Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.
Authors of publication	Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2130 - 2133
a	11.8709 ± 0.0017 Å
b	18.0107 ± 0.0017 Å
c	9.9332 ± 0.0015 Å
α	90°
β	117.349 ± 0.0087°
γ	90°
Cell volume	1886.4 ± 0.5 Å³
Cell temperature	80 K
Ambient diffraction temperature	80 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Method of determination	powder diffraction
Diffraction radiation wavelength	1.3 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1502139.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502139.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502139.cif
35457	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502139 via cif-deposit CGI script.	1502139.cif