Crystallography Open Database

Information card for entry 2007425

2007424 << 2007425 >> 2007426

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Coordinates	2007425.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	sp-(R)-9-(o-t-Butylphenyl)-9-fluorenol-2-N- [(S)-α-methylbenzyl]carboamide^.^Acetone
Formula	C35 H37 N O3
Calculated formula	C35 H37 N O3
SMILES	O[C@@]1(c2c(c3ccc(cc13)C(=O)N[C@@H](C)c1ccccc1)cccc2)c1c(cccc1)C(C)(C)C.O=C(C)C
Title of publication	<i>sp</i>-(<i>R</i>)-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-hydroxy-<i>N</i>-[(<i>S</i>)-α-methylbenzyl]fluorene-2-carboxamide–Acetone: a Novel 1:1 Cavitate
Authors of publication	Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	7
Pages of publication	1013 - 1016
a	8.57 ± 0.002 Å
b	12.4127 ± 0.0015 Å
c	14.549 ± 0.002 Å
α	90°
β	106.502 ± 0.015°
γ	90°
Cell volume	1483.9 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1349
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for all reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections	1.012
Goodness-of-fit parameter for significantly intense reflections	1.145
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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