Crystallography Open Database

Information card for entry 2100856

Preview

Coordinates	2100856.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22 H24 O
Calculated formula	C22 H24 O
SMILES	C1[C@H]2[C@H]3[C@H]4[C@@H]1[C@H]1[C@@H]2[C@@H](C3)[C@@H]4[C@@]21O[C@@]12[C@@H]2[C@@H]3[C@@H]4[C@H]1[C@@H]1[C@H]2C[C@H]3[C@@H]1C4.C1[C@@H]2[C@@H]3[C@@H]4[C@H]1[C@@H]1[C@H]2[C@H](C3)[C@H]4[C@]21O[C@]12[C@H]2[C@H]3[C@H]4[C@@H]1[C@H]1[C@@H]2C[C@@H]3[C@H]1C4
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	21.471 ± 0.005 Å
b	6.352 ± 0.001 Å
c	12.351 ± 0.003 Å
α	90°
β	117.26 ± 0.01°
γ	90°
Cell volume	1497.4 ± 0.6 Å³
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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