Crystallography Open Database

Information card for entry 1540605

Preview

Coordinates	1540605.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	10,11,12-Triphenyl-10H-phenanthro[9,10-f]phosphindole 10-oxide
Formula	C38 H25 O P
Calculated formula	C38 H25 O P
SMILES	c12ccccc1c1ccccc1c1c2cc2c(c1)C(=C(c1ccccc1)[P]2(=O)c1ccccc1)c1ccccc1
Title of publication	One-Pot Benzo[b]phosphole Synthesis through Sequential Alkyne Arylmagnesiation, Electrophilic Trapping, and Intramolecular Phospha-Friedel-Crafts Cyclization.
Authors of publication	Wu, Bin; Chopra, Rena; Yoshikai, Naohiko
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	22
Pages of publication	5666 - 5669
a	10.332 ± 0.002 Å
b	10.435 ± 0.002 Å
c	13.632 ± 0.003 Å
α	67.996 ± 0.005°
β	82.773 ± 0.006°
γ	76.624 ± 0.006°
Cell volume	1324.5 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1224
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
170755 (current)	2015-12-06	cif/ Adding structures of 1540605 via cif-deposit CGI script.	1540605.cif