Crystallography Open Database

Information card for entry 2100857

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Coordinates	2100857.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22 H26
Calculated formula	C22 H26
SMILES	C1([C@@H]2[C@H]3C[C@@H]4[C@H]5C[C@H]([C@@H]1[C@@H]35)[C@H]24)C1[C@@H]2[C@H]3C[C@@H]4[C@H]5C[C@H]([C@@H]1[C@@H]35)[C@H]24.C1([C@H]2[C@@H]3C[C@H]4[C@@H]5C[C@@H]([C@H]1[C@H]35)[C@@H]24)C1[C@H]2[C@@H]3C[C@H]4[C@@H]5C[C@@H]([C@H]1[C@H]35)[C@@H]24
Title of publication	<i>meso</i>- and <small>D</small>,<small>L</small>-<i>D</i>~3~-trishomocubylidene-<i>D</i>~3~-trishomocubane oxides and <small>D</small>,<small>L</small>-bi-<i>D</i>~3~-trishomocubyl
Authors of publication	Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Reddy, C. M.; Gadgil, V. R.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	5
Pages of publication	731 - 737
a	6.324 ± 0.001 Å
b	10.591 ± 0.002 Å
c	11.767 ± 0.003 Å
α	103.14 ± 0.02°
β	99.18 ± 0.02°
γ	95.67 ± 0.01°
Cell volume	750.1 ± 0.3 Å³
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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