Crystallography Open Database

Information card for entry 2101016

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C38 H40 O8
Calculated formula	C38 O8
SMILES	[C@@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OC(=O)C)OC(=O)C)OCc1ccccc1)OCc1ccccc1.[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OC(=O)C)OC(=O)C)OCc1ccccc1)OCc1ccccc1
Title of publication	`Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol
Authors of publication	Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R.
Journal of publication	Acta Crystallographica Section B
Year of publication	1993
Journal volume	49
Journal issue	4
Pages of publication	708 - 718
a	14.269 ± 0.002 Å
b	14.862 ± 0.002 Å
c	16.506 ± 0.003 Å
α	90°
β	103.21 ± 0.01°
γ	90°
Cell volume	3407.7 ± 0.9 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	1.542 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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