Crystallography Open Database

Information card for entry 1555089

Preview

Coordinates	1555089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 P2
Calculated formula	C38 H34 P2
SMILES	P12P3C(=C(C(=C3c3ccccc3)C)C)[C@H]([C@@H](C2=C(C(=C1c1ccccc1)C)C)c1ccccc1)c1ccccc1.P12P3C(=C(C(=C3c3ccccc3)C)C)[C@@H]([C@H](C2=C(C(=C1c1ccccc1)C)C)c1ccccc1)c1ccccc1
Title of publication	Reaction of Phospholes with Aldimines: A One-Step Synthesis of Chelating, Alpha-C2-Bridged Biphospholes.
Authors of publication	Hu, Zhengsong; Li, Zongyang; Zhao, Kang; Tian, Rongqiang; Duan, Zheng; Mathey, François
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3518 - 3520
a	8.6263 ± 0.0009 Å
b	12.097 ± 0.002 Å
c	16.023 ± 0.006 Å
α	107.86 ± 0.03°
β	95.73 ± 0.03°
γ	104.279 ± 0.013°
Cell volume	1514.1 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238313 (current)	2019-11-24	cif/ Adding structures of 1555089 via cif-deposit CGI script.	1555089.cif