Crystallography Open Database

Information card for entry 2010507

2010506 << 2010507 >> 2010508

Preview

Coordinates	2010507.cif
Original IUCr paper	HTML

Structure parameters

Common name	9-Phenyl-3,4,4a,9a-tetrahydrotriptycene
Chemical name	cis-9-Phenyl-3,4,4a,9,9a,10-hexahydro-9,10[1',2']benzenoanthracene
Formula	C26 H22
Calculated formula	C26 H22
SMILES	c1cccc2c1C1(c3ccccc3C2[C@@H]2[C@H]1C=CCC2)c1ccccc1.c1cccc2c1C1(c3ccccc3C2[C@H]2[C@@H]1C=CCC2)c1ccccc1
Title of publication	9-Phenyl-3,4,4a,9a-tetrahydrotriptycene and 9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene
Authors of publication	Duan, Shaoming; Baker, Ronald J.; Masnovi, John
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	1
Pages of publication	99 - 101
a	9.3991 ± 0.0007 Å
b	9.7733 ± 0.0004 Å
c	10.5899 ± 0.0007 Å
α	90.376 ± 0.004°
β	71.465 ± 0.005°
γ	104.463 ± 0.005°
Cell volume	890.29 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.042
Weighted residual factors for all reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	2.03
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.